Geometry & MOs

Info

ID:	404177
PubChem CID:	135065360
Reduced:	NSO4C15H17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	366.11371
ΔH_f, kcal/mol:	-123.33
Dipole, Da:	3.62
IP(EA), eV:	-8.23(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]sulfonyl-1-(4-methoxyphenyl)ethanol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NS(=O)(=O)C[C@H](C2=CC=CC=C2)O

DOS

IR

Vibrations