Geometry & MOs

Info

ID:	277651
PubChem CID:	103830117
Reduced:	FNSO2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	281.106336
ΔH_f, kcal/mol:	-102.2
Dipole, Da:	4.93
IP(EA), eV:	-9.16(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNC(=O)C2=C(C=C(C=C2)F)O

DOS

IR

Vibrations