Geometry & MOs

Info

ID:	172122
PubChem CID:	75469518
Reduced:	O2F4N5H11C17 (1)
Stoich.:	A2B4C5D11E17 (1)
Weight, g/mol:	397.107183
ΔH_f, kcal/mol:	-173.06
Dipole, Da:	7.21
IP(EA), eV:	-9.61(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[4-(ethylsulfanylmethyl)pyridin-2-yl]-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)C(F)(F)F)C(=O)N

DOS

IR

Vibrations