Geometry & MOs

Info

ID:	37561
PubChem CID:	8022249
Reduced:	ClN2O5H15C18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	374.066949
ΔH_f, kcal/mol:	-84.97
Dipole, Da:	10.64
IP(EA), eV:	-9.33(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-4-nitroanilino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)/C=C/C2=CC=CC=C2Cl

DOS

IR

Vibrations