Geometry & MOs

Info

ID:	206731
PubChem CID:	80291598
Reduced:	ClNSO2C13H20 (1)
Stoich.:	ABCD2E13F20 (1)
Weight, g/mol:	289.094806
ΔH_f, kcal/mol:	-106.06
Dipole, Da:	4.08
IP(EA), eV:	-9.49(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)NC(C)CCCCl

DOS

IR

Vibrations