Geometry & MOs

Info

ID:	342297
PubChem CID:	127265074
Reduced:	SO2N5C17H17 (1)
Stoich.:	AB2C5D17E17 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	50.65
Dipole, Da:	5.48
IP(EA), eV:	-8.91(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2C(=CC(=N2)C)NS(=O)(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations