Geometry & MOs

Info

ID:	339941
PubChem CID:	127261950
Reduced:	O2N4C27H38 (1)
Stoich.:	A2B4C27D38 (1)
Weight, g/mol:	512.238333
ΔH_f, kcal/mol:	-62.84
Dipole, Da:	5.73
IP(EA), eV:	-8.07(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N([C@@H](CCCCN)C(=O)N)C(=O)CN(C2CCCCC2)C3=CC=CC=C3

DOS

IR

Vibrations