Geometry & MOs

Info

ID:	56380
PubChem CID:	17425265
Reduced:	ClSO2N3C13H14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	374.071212
ΔH_f, kcal/mol:	-29.62
Dipole, Da:	4.89
IP(EA), eV:	-8.89(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CC2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations