Geometry & MOs

Info

ID:	36837
PubChem CID:	8013527
Reduced:	Cl2N2O3H14C18 (1)
Stoich.:	A2B2C3D14E18 (1)
Weight, g/mol:	418.137616
ΔH_f, kcal/mol:	-75.9
Dipole, Da:	2.35
IP(EA), eV:	-9.26(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 3,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)CC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations