Geometry & MOs

Info

ID:	140085
PubChem CID:	52643609
Reduced:	SCl2O2N3H15C19 (1)
Stoich.:	AB2C2D3E15F19 (1)
Weight, g/mol:	385.002097
ΔH_f, kcal/mol:	15.93
Dipole, Da:	5.24
IP(EA), eV:	-9.08(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(6-chloro-1H-indole-3-carbonyl)-3-(2-chloro-5-nitrophenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)/C=C(/C2=NN=C(S2)C(=O)NC3=CC=C(C=C3)Cl)\Cl

DOS

IR

Vibrations