Geometry & MOs

Info

ID:	302793
PubChem CID:	124395535
Reduced:	ClN3O3H20C23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	458.984732
ΔH_f, kcal/mol:	-25.41
Dipole, Da:	9.93
IP(EA), eV:	-8.5(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)/C=C(/C#N)\C(=O)NC3=CC=C(C=C3)O

DOS

IR

Vibrations