Geometry & MOs

Info

ID:	124442
PubChem CID:	50883810
Reduced:	N2O5H14C21 (1)
Stoich.:	A2B5C14D21 (1)
Weight, g/mol:	302.028062
ΔH_f, kcal/mol:	-80.44
Dipole, Da:	9.29
IP(EA), eV:	-9.84(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(3-chloro-4-methylphenyl)hydrazinylidene]-1-benzothiophen-3-one

Drug info:

PubChemData

Smile

CC\1=C(C(=O)N(C(=O)/C1=C/C2=CC=C(O2)C3=CC4=C(C=C3)C(=O)OC4)C)C#N

DOS

IR

Vibrations