Geometry & MOs

Info

ID:	399566
PubChem CID:	135040939
Reduced:	SH14C16 (1)
Stoich.:	AB14C16 (1)
Weight, g/mol:	218.151809
ΔH_f, kcal/mol:	49.84
Dipole, Da:	1.49
IP(EA), eV:	-8.65(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S,4R,5S)-3,5-dihydroxy-4,6-dimethylheptanoate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C=C1)C3=C(C=CS3)C

DOS

IR

Vibrations