Geometry & MOs

Info

ID:	220980
PubChem CID:	85248083
Reduced:	SO3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	252.172545
ΔH_f, kcal/mol:	-94.34
Dipole, Da:	1.13
IP(EA), eV:	-9.0(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-7-(2-hydroxypropan-2-yl)-4-methyl-10-methylidenecyclodec-4-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CC1C(=O)CCC2=CSC=C2

DOS

IR

Vibrations