Geometry & MOs

Info

ID:	425389
PubChem CID:	135126167
Reduced:	SN4O4F5H21C24 (1)
Stoich.:	AB4C4D5E21F24 (1)
Weight, g/mol:	391.96334
ΔH_f, kcal/mol:	-283.98
Dipole, Da:	4.97
IP(EA), eV:	-9.2(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-iodophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)O.C#CCOC1=NC=C(N=C1)/C(=C/C2=CC(=C(C=C2)F)[C@]34CO[C@@H]([C@H]3CSC(=N4)N)C(F)(F)F)/F

DOS

IR

Vibrations