Geometry & MOs

Info

ID:	51169
PubChem CID:	12013803
Reduced:	NOSH9C14 (1)
Stoich.:	ABCD9E14 (1)
Weight, g/mol:	396.215443
ΔH_f, kcal/mol:	28.97
Dipole, Da:	3.88
IP(EA), eV:	-7.98(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-6-methyl-4-[(S)-(4-methylphenyl)sulfinyl]hept-4-en-3-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC4=C(C=C3S2)C(=CN4)O

DOS

IR

Vibrations