Geometry & MOs

Info

ID:	339971
PubChem CID:	127261980
Reduced:	NOC5H6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	365.177313
ΔH_f, kcal/mol:	-55.0
Dipole, Da:	6.71
IP(EA), eV:	-9.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N,4-dimethyl-2-[(2-sulfanylacetyl)amino]pentanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations