Geometry & MOs

Info

ID:	33121
PubChem CID:	7884990
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	399.143035
ΔH_f, kcal/mol:	-162.97
Dipole, Da:	6.26
IP(EA), eV:	-9.0(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@@H](C)NC(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)C)C)C

DOS

IR

Vibrations