Geometry & MOs

Info

ID:	65169
PubChem CID:	29204561
Reduced:	ClO2N5H16C22 (1)
Stoich.:	AB2C5D16E22 (1)
Weight, g/mol:	334.054277
ΔH_f, kcal/mol:	67.13
Dipole, Da:	5.13
IP(EA), eV:	-9.12(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-chlorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C(=O)NNC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations