Geometry & MOs

Info

ID:	404274
PubChem CID:	135065641
Reduced:	O2S2N3C24H25 (1)
Stoich.:	A2B2C3D24E25 (1)
Weight, g/mol:	273.067094
ΔH_f, kcal/mol:	16.88
Dipole, Da:	5.56
IP(EA), eV:	-8.8(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3S)-3-hydroxy-2-(methanesulfonamido)-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCC[C@@H]([C@@H]1CSC2=CC=CC=C2C1=C(C#N)C#N)NS(=O)(=O)C3=C(C=C(C=C3)C)C

DOS

IR

Vibrations