Geometry & MOs

Info

ID:	40603
PubChem CID:	8144404
Reduced:	OSN5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	326.04582
ΔH_f, kcal/mol:	53.22
Dipole, Da:	0.7
IP(EA), eV:	-8.74(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-6-chloro-3-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=S)N(N=N2)CN3CCOCC3

DOS

IR

Vibrations