Geometry & MOs

Info

ID:	59776
PubChem CID:	24896775
Reduced:	SF2N2O2H18C21 (1)
Stoich.:	AB2C2D2E18F21 (1)
Weight, g/mol:	387.150429
ΔH_f, kcal/mol:	-114.92
Dipole, Da:	6.98
IP(EA), eV:	-9.62(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-2-methylsulfonylbenzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)NCC(=O)NC(C2=CC(=CC=C2)F)C3=CC(=CC=C3)F

DOS

IR

Vibrations