Geometry & MOs

Info

ID:	142071
PubChem CID:	52976510
Reduced:	ON3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	501.240976
ΔH_f, kcal/mol:	11.31
Dipole, Da:	8.23
IP(EA), eV:	-9.04(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N=C3CCCCN3CC4=CC=CC=C4

DOS

IR

Vibrations