Geometry & MOs

Info

ID:	340107
PubChem CID:	127262116
Reduced:	N5O6C24H37 (1)
Stoich.:	A5B6C24D37 (1)
Weight, g/mol:	526.290368
ΔH_f, kcal/mol:	-269.67
Dipole, Da:	2.27
IP(EA), eV:	-9.43(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-(N-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-phenylpropanoyl]-4-nitroanilino)hexanamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N(C1=CC(=C(C=C1)O)C(=O)O)[C@@H](CCCCN)C(=O)N)NC(=O)[C@H]2CCCN2

DOS

IR

Vibrations