Geometry & MOs

Info

ID:	235147
PubChem CID:	92304130
Reduced:	SN2O5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	378.124943
ΔH_f, kcal/mol:	-176.66
Dipole, Da:	1.52
IP(EA), eV:	-8.52(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,3S)-3-(4-aminophenyl)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]([C@H](C1=CC=C(C=C1)N)O)NS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations