Geometry & MOs

Info

ID:	18051
PubChem CID:	535230
Reduced:	O2S2F3N3H20C23 (1)
Stoich.:	A2B2C3D3E20F23 (1)
Weight, g/mol:	491.094904
ΔH_f, kcal/mol:	-138.37
Dipole, Da:	5.93
IP(EA), eV:	-8.79(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-butoxyphenyl)-2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC(=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

DOS

IR

Vibrations