Geometry & MOs

Info

ID:	46949
PubChem CID:	10528606
Reduced:	ClO2N4C27H29 (1)
Stoich.:	AB2C4D27E29 (1)
Weight, g/mol:	476.090577
ΔH_f, kcal/mol:	16.72
Dipole, Da:	8.61
IP(EA), eV:	-9.57(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,3-dichloro-4-[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]butanoyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H]([C@H]1CN2C=NC3=C2N=CN=C3Cl)COCC4=CC=CC=C4)COCC5=CC=CC=C5

DOS

IR

Vibrations