Geometry & MOs

Info

ID:	37678
PubChem CID:	8023056
Reduced:	FN3O3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	376.066383
ΔH_f, kcal/mol:	-99.77
Dipole, Da:	4.04
IP(EA), eV:	-9.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)C2=NOC(=C2)C

DOS

IR

Vibrations