Geometry & MOs

Info

ID:	51046
PubChem CID:	12013663
Reduced:	S2O4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	177.078979
ΔH_f, kcal/mol:	-71.67
Dipole, Da:	9.97
IP(EA), eV:	-9.85(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(S)-hydroxy(phenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC2CC1C(=C2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations