Geometry & MOs

Info

ID:	150749
PubChem CID:	53790445
Reduced:	FN4O4C39H45 (1)
Stoich.:	AB4C4D39E45 (1)
Weight, g/mol:	272.125988
ΔH_f, kcal/mol:	-137.29
Dipole, Da:	6.31
IP(EA), eV:	-9.35(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(1R)-2-(1-hydroxyethyl)-3-oxocyclopentyl]-2-methylpropanedioate

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)[C@@H](CC1=CC=C(C=C1)F)N(C)C(=O)[C@@H](CC2=CC=C(C=C2)C3=CC=CC=C3)N(C)C(=O)C4=CC=CC(=C4)CN)CO

DOS

IR

Vibrations