Geometry & MOs

Info

ID:	157867
PubChem CID:	56437645
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	379.141756
ΔH_f, kcal/mol:	-174.07
Dipole, Da:	5.25
IP(EA), eV:	-9.36(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)CCC(=O)NCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

DOS

IR

Vibrations