Geometry & MOs

Info

ID:	447485
PubChem CID:	135283240
Reduced:	O3N4C11H18 (1)
Stoich.:	A3B4C11D18 (1)
Weight, g/mol:	568.04803
ΔH_f, kcal/mol:	-95.43
Dipole, Da:	2.81
IP(EA), eV:	-9.69(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]pyridin-3-yl]-N-methylsulfonylmethanesulfonamide

Drug info:

PubChemData

Smile

C/C=C/C(=O)C(NC(=O)NC(N)C(=O)/C=C/C)N

DOS

IR

Vibrations