Geometry & MOs

Info

ID:	273541
PubChem CID:	103771334
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	303.110456
ΔH_f, kcal/mol:	-141.65
Dipole, Da:	3.58
IP(EA), eV:	-8.89(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-4-methylpentyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(=O)NCC(CC(C)C)O

DOS

IR

Vibrations