Geometry & MOs

Info

ID:	136321
PubChem CID:	52019637
Reduced:	N2O3H22C24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-53.78
Dipole, Da:	4.13
IP(EA), eV:	-8.5(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[(1,6-dimethyl-4-oxocinnoline-3-carbonyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)O[C@@H](C(=O)N2)CC(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations