Geometry & MOs

Info

ID:	35888
PubChem CID:	7980449
Reduced:	ClNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	328.105922
ΔH_f, kcal/mol:	-130.45
Dipole, Da:	1.89
IP(EA), eV:	-9.28(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(3-methyl-4-nitrobenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)Cl)NC(=O)COC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations