Geometry & MOs

Info

ID:	134469
PubChem CID:	51702207
Reduced:	ClO2N4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	398.094582
ΔH_f, kcal/mol:	7.63
Dipole, Da:	8.32
IP(EA), eV:	-9.04(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-3-(4-chlorophenyl)-N-(5-fluoro-2-methylphenyl)-5-oxo-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)[C@H]2CC(=O)N=C3N2NC=C3C4=CC=C(C=C4)Cl

DOS

IR

Vibrations