Geometry & MOs

Info

ID:	50748
PubChem CID:	12013336
Reduced:	SO3C18H24 (1)
Stoich.:	AB3C18D24 (1)
Weight, g/mol:	365.126106
ΔH_f, kcal/mol:	-138.25
Dipole, Da:	2.79
IP(EA), eV:	-8.5(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,1-difluoro-3-methylpent-1-en-2-yl)phenyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C[C@H](OC1)C2(CCCCC2)SC3=CC=CC=C3

DOS

IR

Vibrations