Geometry & MOs

Info

ID:	137632
PubChem CID:	52237585
Reduced:	O2N3H15C17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	383.091532
ΔH_f, kcal/mol:	-9.04
Dipole, Da:	5.45
IP(EA), eV:	-9.36(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-[[2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]benzamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations