Geometry & MOs

Info

ID:	173713
PubChem CID:	75673103
Reduced:	SN2O5H18C22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	387.145715
ΔH_f, kcal/mol:	-55.56
Dipole, Da:	28.3
IP(EA), eV:	-7.31(-3.49)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

7-(4-methylphenyl)-3-[(3-methylphenyl)carbamoyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)OC(C)C(=O)[O-])C(=NC2=S)[O-])C

DOS

IR

Vibrations