Geometry & MOs

Info

ID:	164988
PubChem CID:	74480376
Reduced:	N4O5C23H25 (1)
Stoich.:	A4B5C23D25 (1)
Weight, g/mol:	437.182495
ΔH_f, kcal/mol:	-130.84
Dipole, Da:	10.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.069826
Charge, e:	-1

Chem-info

IUPAC name:

2-[[4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]-2-phenylacetate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C1=CC=CC=C1)C(=O)[O-])NC(=O)N2CC(=O)NC3=CC=CC=C32

DOS

IR

Vibrations