Geometry & MOs

Info

ID:	35958
PubChem CID:	7980554
Reduced:	FON2S2H17C18 (1)
Stoich.:	ABC2D2E17F18 (1)
Weight, g/mol:	337.070341
ΔH_f, kcal/mol:	-28.74
Dipole, Da:	4.07
IP(EA), eV:	-8.87(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)CCCSC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations