Geometry & MOs

Info

ID:	302312
PubChem CID:	124361197
Reduced:	BrN3O4C25H28 (1)
Stoich.:	AB3C4D25E28 (1)
Weight, g/mol:	433.196134
ΔH_f, kcal/mol:	-143.28
Dipole, Da:	6.15
IP(EA), eV:	-9.21(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-amino-2-[[(2R)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2C[C@@H](N[C@]23C4=C(C=CC(=C4)Br)NC3=O)CC(C)C

DOS

IR

Vibrations