Geometry & MOs

Info

ID:	48532
PubChem CID:	11078799
Reduced:	SN2O4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	358.214409
ΔH_f, kcal/mol:	-88.48
Dipole, Da:	2.5
IP(EA), eV:	-8.9(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1E)-2,6-dimethylhepta-1,5-dienoxy]-2,6-dihydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C(=O)CC(=O)N(C2=S)C3=CC(=CC=C3)OC

DOS

IR

Vibrations