Geometry & MOs

Info

ID:	340170
PubChem CID:	127262179
Reduced:	N4O5C29H40 (1)
Stoich.:	A4B5C29D40 (1)
Weight, g/mol:	459.248169
ΔH_f, kcal/mol:	-197.76
Dipole, Da:	6.22
IP(EA), eV:	-9.36(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N-methylpyrrolidine-2-carboxamide

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(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N([C@@H](CCCCN)C=O)[C@@H](CC2=CC=CC=C2)C(=O)N

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(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N([C@@H](CCCCN)C=O)[C@@H](CC2=CC=CC=C2)C(=O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):