Geometry & MOs

Info

ID:	242852
PubChem CID:	99213375
Reduced:	FNO3C27H28 (1)
Stoich.:	ABC3D27E28 (1)
Weight, g/mol:	474.172163
ΔH_f, kcal/mol:	-116.3
Dipole, Da:	3.33
IP(EA), eV:	-8.98(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1(CNC(=O)CCOC2=CC=CC=C2C3=CC=CC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations