Geometry & MOs

Info

ID:	413284
PubChem CID:	135086232
Reduced:	O3C22H26 (1)
Stoich.:	A3B22C26 (1)
Weight, g/mol:	359.038292
ΔH_f, kcal/mol:	-48.86
Dipole, Da:	2.45
IP(EA), eV:	-9.28(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(benzenesulfonyl)pyridin-3-yl]-(2-chlorophenyl)methanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C#CCC1(C=CCC=C1)COCC2=CC=CC=C2

DOS

IR

Vibrations