Geometry & MOs

Info

ID:	176548
PubChem CID:	76065805
Reduced:	SN6O10H24C28 (1)
Stoich.:	AB6C10D24E28 (1)
Weight, g/mol:	782.457828
ΔH_f, kcal/mol:	-211.12
Dipole, Da:	5.23
IP(EA), eV:	-9.47(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-ylethyl N-(2-amino-3-methylbutanoyl)-N-[4-[(2-amino-3-methylbutanoyl)-(2-morpholin-4-ylethoxycarbonyl)amino]-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)C4=CN(NC4=O)C5=CC=C(C=C5)[N+](=O)[O-])SC1)C(=O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)C4=CN(NC4=O)C5=CC=C(C=C5)[N+](=O)[O-])SC1)C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):