Geometry & MOs

Info

ID:	276816
PubChem CID:	103825386
Reduced:	ClNO3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	303.110456
ΔH_f, kcal/mol:	-144.13
Dipole, Da:	2.43
IP(EA), eV:	-9.18(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-2,2-dimethylbutyl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC(C)(C)CCO)OC1=CC=C(C=C1)Cl

DOS

IR

Vibrations