Geometry & MOs

Info

ID:	182533
PubChem CID:	76901195
Reduced:	SN3O3C9H13 (1)
Stoich.:	AB3C3D9E13 (1)
Weight, g/mol:	402.049727
ΔH_f, kcal/mol:	-84.73
Dipole, Da:	5.4
IP(EA), eV:	-9.57(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[3-[(3,4-difluorophenyl)carbamoyl]-4-fluorophenyl]sulfonylamino]propanoic acid

Drug info:

PubChemData

Smile

CNC1=N[C@H]2[C@H]([C@@H]([C@H](O[C@H]2S1)CC#N)O)O

DOS

IR

Vibrations