Geometry & MOs

Info

ID:	217991
PubChem CID:	85088704
Reduced:	SN2O3H22C24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	418.235539
ΔH_f, kcal/mol:	-62.3
Dipole, Da:	1.92
IP(EA), eV:	-9.19(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[5-methyl-6-[3-methyl-6-(3-methyl-4-oxo-2,3-dihydropyran-2-yl)oxan-2-yl]oxan-2-yl]-2,3-dihydropyran-4-one

Drug info:

PubChemData

Smile

C1CSC(=O)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations