Geometry & MOs

Info

ID:	196280
PubChem CID:	78804387
Reduced:	NO3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	396.992188
ΔH_f, kcal/mol:	-123.0
Dipole, Da:	4.36
IP(EA), eV:	-8.31(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)NC(=O)CC3=C(C=CC(=C3)OC)OC)C)C

DOS

IR

Vibrations