Geometry & MOs

Info

ID:	160511
PubChem CID:	57309859
Reduced:	FO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	473.231456
ΔH_f, kcal/mol:	-26.08
Dipole, Da:	1.48
IP(EA), eV:	-9.16(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3S,5S)-5-[2-[3-(4-cyanophenyl)prop-2-enoylamino]ethyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@@H]1C(=O)N3CCN(CC3)C4=NOC5=C4C=CC(=C5)F

DOS

IR

Vibrations