Geometry & MOs

Info

ID:	147905
PubChem CID:	53787565
Reduced:	ClF2N3O3C19H20 (1)
Stoich.:	AB2C3D3E19F20 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	-172.06
Dipole, Da:	11.18
IP(EA), eV:	-8.99(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(2S,5R)-2,5-diphenylpyrrolidin-1-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC(C1CCN(C1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4F)F)N

DOS

IR

Vibrations