Geometry & MOs

Info

ID:	171601
PubChem CID:	75401746
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	360.142698
ΔH_f, kcal/mol:	-86.95
Dipole, Da:	4.94
IP(EA), eV:	-9.38(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl N'-cyclohexylcarbamimidothioate;hydrochloride

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CCCNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations