Geometry & MOs

Info

ID:	135597
PubChem CID:	51898526
Reduced:	ClN2O6C23H27 (1)
Stoich.:	AB2C6D23E27 (1)
Weight, g/mol:	477.189986
ΔH_f, kcal/mol:	-229.87
Dipole, Da:	3.83
IP(EA), eV:	-9.19(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)OCC(=O)NCC1=CC(=CC=C1)Cl)NC(=O)C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations