Geometry & MOs

Info

ID:	348733
PubChem CID:	127273844
Reduced:	SO3N4C17H26 (1)
Stoich.:	AB3C4D17E26 (1)
Weight, g/mol:	347.141596
ΔH_f, kcal/mol:	-99.31
Dipole, Da:	4.54
IP(EA), eV:	-9.48(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NS(=O)(=O)CC34CCC(C3(C)C)CC4=O

DOS

IR

Vibrations