Geometry & MOs

Info

ID:	441733
PubChem CID:	135242201
Reduced:	Cl2N3O4C28H35 (1)
Stoich.:	A2B3C4D28E35 (1)
Weight, g/mol:	403.167811
ΔH_f, kcal/mol:	-179.75
Dipole, Da:	4.51
IP(EA), eV:	-8.78(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1,2,3,3a,4,4a-hexahydro-s-indacen-4-yl)-5-sulfamoyl-1,2,3,3a,4,5-hexahydropyrazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)N3CCC4(CCCC4NC(=O)OC(C)(C)C)CC3

DOS

IR

Vibrations