Geometry & MOs

Info

ID:	80047
PubChem CID:	49832430
Reduced:	ClSO4N5C21H22 (1)
Stoich.:	ABC4D5E21F22 (1)
Weight, g/mol:	386.033731
ΔH_f, kcal/mol:	-58.84
Dipole, Da:	8.25
IP(EA), eV:	-8.65(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-anilino-5-(3,5-dichlorophenyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)NCCNC2=NC=C(C=C2)N3C=CC(=CC3=O)OCC4=NC=C(C=C4)Cl

DOS

IR

Vibrations