Geometry & MOs

Info

ID:	426571
PubChem CID:	135149020
Reduced:	SCl2O2N4C15H18 (1)
Stoich.:	AB2C2D4E15F18 (1)
Weight, g/mol:	464.104894
ΔH_f, kcal/mol:	-46.13
Dipole, Da:	8.93
IP(EA), eV:	-8.85(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(azetidin-3-ylsulfonyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C=C(C(=NC3=NS2)Cl)Cl

DOS

IR

Vibrations