Geometry & MOs

Info

ID:	139568
PubChem CID:	52559224
Reduced:	FO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	429.00457
ΔH_f, kcal/mol:	-85.3
Dipole, Da:	3.04
IP(EA), eV:	-9.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-(4-bromophenyl)-3-[(4-fluoro-2-methylphenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC(=O)C2(CCC2)C3=CC(=CC=C3)F

DOS

IR

Vibrations