Geometry & MOs

Info

ID:	190414
PubChem CID:	78001531
Reduced:	O3N5C35H39 (1)
Stoich.:	A3B5C35D39 (1)
Weight, g/mol:	471.119713
ΔH_f, kcal/mol:	17.34
Dipole, Da:	6.0
IP(EA), eV:	-8.6(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-carboxy-3-(2-chlorophenyl)-1-hydroxypropan-2-yl]carbamoyl]-2-(2-phenylethyl)pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CCC1=CC=C(C=C1)NC(=O)C2C=CC3=NC(=C4C=C(C=CC4=O)C5=CC=CC=C5OC)NC3=C2)CCN(C)C

DOS

IR

Vibrations