Geometry & MOs

Info

ID:	172336
PubChem CID:	75497057
Reduced:	SN2O2C17H22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	395.978746
ΔH_f, kcal/mol:	-49.64
Dipole, Da:	6.83
IP(EA), eV:	-8.98(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-methylsulfonyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1NC(=O)C2CCOC2C)CC)SC#N

DOS

IR

Vibrations