Geometry & MOs

Info

ID:	219049
PubChem CID:	85090410
Reduced:	NO10C28H33 (1)
Stoich.:	AB10C28D33 (1)
Weight, g/mol:	543.223017
ΔH_f, kcal/mol:	-386.42
Dipole, Da:	4.53
IP(EA), eV:	-8.91(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyanilino)-N-[[1-[(4-methylpiperazin-1-yl)methyl]-2-oxoindol-3-ylidene]amino]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCC1(CC(C2=C(C1O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)NC)O

DOS

IR

Vibrations