Geometry & MOs

Info

ID:	180860
PubChem CID:	76695484
Reduced:	ClNO3C21H36 (1)
Stoich.:	ABC3D21E36 (1)
Weight, g/mol:	521.151762
ΔH_f, kcal/mol:	-176.6
Dipole, Da:	6.48
IP(EA), eV:	-9.3(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-cyano-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide

Drug info:

PubChemData

Smile

CCC1(CCC1)C(CCCN2CCC(C2CC=CCCCC(=O)O)Cl)O

DOS

IR

Vibrations