Geometry & MOs

Info

ID:	348288
PubChem CID:	127273353
Reduced:	SO2N6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	396.125612
ΔH_f, kcal/mol:	-23.42
Dipole, Da:	3.0
IP(EA), eV:	-8.92(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations