Geometry & MOs

Info

ID:	348322
PubChem CID:	127273387
Reduced:	SO2N6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-29.38
Dipole, Da:	2.03
IP(EA), eV:	-8.92(-1.18)
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-(oxolan-2-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)NC3CCC4=NC(=NN4C3)C)C

DOS

IR

Vibrations