Geometry & MOs

Info

ID:	134467
PubChem CID:	51701889
Reduced:	N4O5H20C22 (1)
Stoich.:	A4B5C20D22 (1)
Weight, g/mol:	428.068761
ΔH_f, kcal/mol:	-98.2
Dipole, Da:	7.38
IP(EA), eV:	-9.2(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[[(7R)-3-(4-fluorophenyl)-5-oxo-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(NN2C1=NC(=O)C[C@H]2C(=O)NC3=C(C=CC(=C3)C(=O)O)OC)C4=CC=CC=C4

DOS

IR

Vibrations