Geometry & MOs

Info

ID:	164027
PubChem CID:	74381534
Reduced:	O3C21H22 (1)
Stoich.:	A3B21C22 (1)
Weight, g/mol:	691.176462
ΔH_f, kcal/mol:	-73.08
Dipole, Da:	8.99
IP(EA), eV:	-9.15(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxybutanedioic acid;5-(3-fluorophenyl)-1-[4-(trifluoromethoxy)phenyl]-3-[2-[6-(trifluoromethyl)pyridin-3-yl]propan-2-ylamino]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(=CC(=CC1(CCC2=C(O1)C3=CC=CC=C3C(=O)C2=O)C)C)C

DOS

IR

Vibrations