Geometry & MOs

Info

ID:	171685
PubChem CID:	75413494
Reduced:	ClSN2O2C14H17 (1)
Stoich.:	ABC2D2E14F17 (1)
Weight, g/mol:	363.114044
ΔH_f, kcal/mol:	-38.1
Dipole, Da:	7.42
IP(EA), eV:	-8.48(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonylmethyl)-N-(4-hydroxycyclohexyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=S)NCCC2=CC3=C(C(=C2)Cl)OCCO3

DOS

IR

Vibrations