Geometry & MOs

Info

ID:	196294
PubChem CID:	78806078
Reduced:	O3N4H16C18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	338.090055
ΔH_f, kcal/mol:	-52.08
Dipole, Da:	2.74
IP(EA), eV:	-8.98(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(C=C3)NC(=O)CO4

DOS

IR

Vibrations