Geometry & MOs

Info

ID:	262201
PubChem CID:	103276824
Reduced:	SN2C15H24 (1)
Stoich.:	AB2C15D24 (1)
Weight, g/mol:	307.090997
ΔH_f, kcal/mol:	4.91
Dipole, Da:	1.23
IP(EA), eV:	-8.96(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,1,3-benzothiadiazol-4-amine

Drug info:

PubChemData

Smile

CC1CC(CC(=C1)C)CNC(C)C2=NC(=CS2)C

DOS

IR

Vibrations