Geometry & MOs

Info

ID:	146691
PubChem CID:	53730876
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	456.273188
ΔH_f, kcal/mol:	39.22
Dipole, Da:	3.06
IP(EA), eV:	-8.65(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-4-[2-(1,3-dithiolan-2-yl)ethyl]-8,8-dimethyl-6,10-dioxaspiro[4.5]decan-3-yl]dec-1-en-3-ol

Drug info:

PubChemData

Smile

CCN(CC)C(=S)NN=C1C2=CC=CC=C2N(C1=O)CC=C

DOS

IR

Vibrations