Geometry & MOs

Info

ID:	61835
PubChem CID:	26713697
Reduced:	ClN2O4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-138.06
Dipole, Da:	4.95
IP(EA), eV:	-8.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C/C(=O)NCC(=O)NC2=C(C=C(C=C2C)C)C)Cl)OC

DOS

IR

Vibrations