Geometry & MOs

Info

ID:	273542
PubChem CID:	103771338
Reduced:	NSF2O2C14H19 (1)
Stoich.:	ABC2D2E14F19 (1)
Weight, g/mol:	303.110456
ΔH_f, kcal/mol:	-181.99
Dipole, Da:	3.63
IP(EA), eV:	-8.83(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CSC1=CC(=C(C=C1)F)F)O

DOS

IR

Vibrations