Geometry & MOs

Info

ID:	237196
PubChem CID:	92717847
Reduced:	ClN3O4C25H32 (1)
Stoich.:	AB3C4D25E32 (1)
Weight, g/mol:	496.140114
ΔH_f, kcal/mol:	-175.58
Dipole, Da:	4.91
IP(EA), eV:	-9.56(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O

DOS

IR

Vibrations