Geometry & MOs

Info

ID:

164987

PubChem CID:

74480375

Reduced:

ClN3O4C22H25 (1)

Stoich.:

AB3C4D22E25 (1)

Weight, g/mol:

437.182495

ΔHf, kcal/mol:

-131.73

Dipole, Da:

4.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.077497

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1NC(=O)C23C(CC([NH2+]3)C(C)O)C(=O)NC4=CC=C(C=C4)OC)Cl

DOS

IR

Vibrations