Geometry & MOs

Info

ID:	132126
PubChem CID:	51311129
Reduced:	NOSF3H14C17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	364.139862
ΔH_f, kcal/mol:	-162.73
Dipole, Da:	3.95
IP(EA), eV:	-8.88(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

C1C(SC2=CC=CC=C21)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations