Geometry & MOs

Info

ID:	76041
PubChem CID:	48424347
Reduced:	NO2C17H29 (1)
Stoich.:	AB2C17D29 (1)
Weight, g/mol:	399.159434
ΔH_f, kcal/mol:	-78.21
Dipole, Da:	4.45
IP(EA), eV:	-9.36(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[2-fluoro-5-(2-oxopyrrolidin-1-yl)anilino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N(CC1CCCCC1)C2CC2)OCC3CC3

DOS

IR

Vibrations