Geometry & MOs

Info

ID:	23889
PubChem CID:	607016
Reduced:	ClSN2O2C17H17 (1)
Stoich.:	ABC2D2E17F17 (1)
Weight, g/mol:	348.069927
ΔH_f, kcal/mol:	-36.2
Dipole, Da:	2.88
IP(EA), eV:	-9.03(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CC(=NNC(=O)C2=C(C3=CC=CC=C3S2)Cl)CC(=O)C1)C

DOS

IR

Vibrations