Geometry & MOs

Info

ID:	302232
PubChem CID:	124360820
Reduced:	SN3O4C26H31 (1)
Stoich.:	AB3C4D26E31 (1)
Weight, g/mol:	436.17467
ΔH_f, kcal/mol:	-143.02
Dipole, Da:	3.53
IP(EA), eV:	-8.78(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2R)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NCC1=CC=C(C=C1)OC)NC(=O)[C@@H]2C(S[C@@H]3N2C(=O)C4=CC=CC=C34)(C)C

DOS

IR

Vibrations