Geometry & MOs

Info

ID:	205153
PubChem CID:	80060757
Reduced:	SN3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	322.08505
ΔH_f, kcal/mol:	92.63
Dipole, Da:	3.83
IP(EA), eV:	-8.2(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylsulfonylcyclohexyl)-(3,4,5-trifluorophenyl)methanol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(N2)SC3=C4C=CN=CC4=C(C=C3)N

DOS

IR

Vibrations