Geometry & MOs

Info

ID:	328544
PubChem CID:	126724388
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	483.156099
ΔH_f, kcal/mol:	-83.48
Dipole, Da:	6.04
IP(EA), eV:	-9.14(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4R)-1-[4-(3-chlorophenyl)phenyl]-5-ethoxy-4-methyl-5-oxopentan-2-yl]carbamoyl]-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=NC(=O)NN3)C(=O)O

DOS

IR

Vibrations