Geometry & MOs

Info

ID:	348545
PubChem CID:	127273656
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	391.167811
ΔH_f, kcal/mol:	-39.03
Dipole, Da:	4.82
IP(EA), eV:	-8.77(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations