Geometry & MOs

Info

ID:	85853
PubChem CID:	49879738
Reduced:	SN3O4C25H25 (1)
Stoich.:	AB3C4D25E25 (1)
Weight, g/mol:	558.241962
ΔH_f, kcal/mol:	-80.6
Dipole, Da:	5.62
IP(EA), eV:	-8.92(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methyl-5-phenylpyrrol-1-yl)-N-[(Z)-[1-(naphthalen-2-ylmethyl)indol-3-yl]methylideneamino]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC(C)C)C(=O)/C(=C\C4=CC=NC=C4)/S2)C

DOS

IR

Vibrations