Geometry & MOs

Info

ID:	348283
PubChem CID:	127273348
Reduced:	OSN4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	364.135782
ΔH_f, kcal/mol:	-5.95
Dipole, Da:	3.95
IP(EA), eV:	-9.21(-0.7)
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)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3=CC4=C(S3)CCCCCC4

DOS

IR

Vibrations