Geometry & MOs

Info

ID:	35631
PubChem CID:	7980119
Reduced:	OSN3H21C23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	399.138305
ΔH_f, kcal/mol:	66.3
Dipole, Da:	3.32
IP(EA), eV:	-8.83(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)N=CN(C2=O)/N=C\C3=CC=C(C=C3)C(C)C)C4=CC=CC=C4

DOS

IR

Vibrations