Geometry & MOs

Info

ID:	340165
PubChem CID:	127262174
Reduced:	SN5O6C27H35 (1)
Stoich.:	AB5C6D27E35 (1)
Weight, g/mol:	525.295119
ΔH_f, kcal/mol:	-150.82
Dipole, Da:	7.53
IP(EA), eV:	-9.28(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-pentylamino]-2-oxoethyl]amino]-2-oxoethyl]-3-(4-hydroxyphenyl)-2-(methylamino)propanamide

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[C@@H](C(=O)N(C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@H](CCSC)NC=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(C)C[C@@H](C(=O)N(C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@H](CCSC)NC=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):