Geometry & MOs

Info

ID:	431651
PubChem CID:	135171747
Reduced:	ClFON2H16C18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	432.161599
ΔH_f, kcal/mol:	-27.04
Dipole, Da:	4.2
IP(EA), eV:	-8.86(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-methylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1[C@H]2C1CN[C@@H]2C(=O)NC3=CC=CC(=C3F)C4=CC=CC=C4Cl

DOS

IR

Vibrations