Geometry & MOs

Info

ID:	139569
PubChem CID:	52559225
Reduced:	BrFNSO4C17H17 (1)
Stoich.:	ABCDE4F17G17 (1)
Weight, g/mol:	429.00457
ΔH_f, kcal/mol:	-176.38
Dipole, Da:	2.06
IP(EA), eV:	-9.73(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)S(=O)(=O)N[C@@H](CC(=O)OC)C2=CC=C(C=C2)Br

DOS

IR

Vibrations