Geometry & MOs

Info

ID:	159387
PubChem CID:	57269789
Reduced:	SCl2N2O2C10H18 (1)
Stoich.:	AB2C2D2E10F18 (1)
Weight, g/mol:	298.250795
ΔH_f, kcal/mol:	-3.46
Dipole, Da:	5.0
IP(EA), eV:	-9.91(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S,5S)-5-methyl-2-non-1-enyl-4-propoxyoxan-3-ol

Drug info:

PubChemData

Smile

CC(C)C(C1(NO1)SC2(NO2)C(C(C)C)Cl)Cl

DOS

IR

Vibrations