Geometry & MOs

Info

ID:	402583
PubChem CID:	135056476
Reduced:	NS2O4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-78.17
Dipole, Da:	2.41
IP(EA), eV:	-8.94(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-methyl-4-phenylpentan-2-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H](C/C=C/C=O)NS(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations