Geometry & MOs

Info

ID:	206149
PubChem CID:	80213194
Reduced:	ClSN2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	324.142698
ΔH_f, kcal/mol:	-11.32
Dipole, Da:	7.96
IP(EA), eV:	-8.21(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[cyclopentyl(3-methylbutyl)amino]benzenecarbothioamide

Drug info:

PubChemData

Smile

CC(C)CCN(C1CCCC1)C2=CC(=C(C=C2)C(=S)N)Cl

DOS

IR

Vibrations