Geometry & MOs

Info

ID:	202198
PubChem CID:	79641154
Reduced:	OS2N4C12H22 (1)
Stoich.:	AB2C4D12E22 (1)
Weight, g/mol:	313.126713
ΔH_f, kcal/mol:	-10.95
Dipole, Da:	6.17
IP(EA), eV:	-8.54(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol

Drug info:

PubChemData

Smile

CNC1(CCCC(C1)SC2=NN=C(S2)N(C)C)CO

DOS

IR

Vibrations