Geometry & MOs

Info

ID:	169529
PubChem CID:	75117625
Reduced:	ClO4N5C19H20 (1)
Stoich.:	AB4C5D19E20 (1)
Weight, g/mol:	461.092453
ΔH_f, kcal/mol:	-93.89
Dipole, Da:	3.79
IP(EA), eV:	-8.8(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-3-methyl-5-oxo-N-(4-sulfamoylphenyl)-2,3,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CN2C3C(N=C2N1CC(=O)OC)N(C(=O)N(C3=O)CC4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations