Geometry & MOs

Info

ID:	218807
PubChem CID:	85090007
Reduced:	N2O8C27H32 (1)
Stoich.:	A2B8C27D32 (1)
Weight, g/mol:	512.217203
ΔH_f, kcal/mol:	-325.74
Dipole, Da:	4.29
IP(EA), eV:	-9.39(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylanilino)-3-nitro-N-[[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)CC1(CC(C(=O)N1C(C)C(=O)OC)(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O

DOS

IR

Vibrations