Geometry & MOs

Info

ID:	194087
PubChem CID:	78479598
Reduced:	SN6C17H28 (1)
Stoich.:	AB6C17D28 (1)
Weight, g/mol:	377.026426
ΔH_f, kcal/mol:	185.88
Dipole, Da:	19.14
IP(EA), eV:	-5.4(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(4-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CCCC(C1=NN=NN1CC2=CC=CS2)[NH+]3CC[NH+](CC3)CC=C

DOS

IR

Vibrations