Geometry & MOs

Info

ID:	262081
PubChem CID:	103268693
Reduced:	NSO2C12H23 (1)
Stoich.:	ABC2D12E23 (1)
Weight, g/mol:	308.98121
ΔH_f, kcal/mol:	-102.22
Dipole, Da:	0.19
IP(EA), eV:	-8.5(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2,4-difluoroanilino)-3-methoxypropanoic acid

Drug info:

PubChemData

Smile

CCSCCC(C)NC/C=C(/C)\C(=O)OC

DOS

IR

Vibrations