Geometry & MOs

Info

ID:	396139
PubChem CID:	135027524
Reduced:	FO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	516.262422
ΔH_f, kcal/mol:	-4.77
Dipole, Da:	10.24
IP(EA), eV:	-9.46(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[4-tert-butyl-3-[(3R)-2,5-dioxo-3-[2-(3-oxocyclohexen-1-yl)propan-2-yl]pyrrolidin-1-yl]phenyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations