Geometry & MOs

Info

ID:	302695
PubChem CID:	124391999
Reduced:	ClNS2O3H12C18 (1)
Stoich.:	ABC2D3E12F18 (1)
Weight, g/mol:	469.023226
ΔH_f, kcal/mol:	-23.88
Dipole, Da:	5.43
IP(EA), eV:	-8.94(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]-2-(3-nitrophenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C/2\C(=O)N(C(=S)S2)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations