Geometry & MOs

Info

ID:	205162
PubChem CID:	80062543
Reduced:	ClSO2N3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	312.175916
ΔH_f, kcal/mol:	-42.53
Dipole, Da:	7.53
IP(EA), eV:	-8.93(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-methylsulfonylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-ol

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CNS(=O)(=O)C2=C(C=C(C(=C2)N)C)Cl

DOS

IR

Vibrations