Geometry & MOs

Info

ID:	163594
PubChem CID:	58084144
Reduced:	SH3C4 (8)
Stoich.:	AB3C4 (8)
Weight, g/mol:	234.089209
ΔH_f, kcal/mol:	210.77
Dipole, Da:	3.3
IP(EA), eV:	-7.85(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(hydroxymethoxymethyl)phenyl]-3-methylideneoxolan-2-one

Drug info:

PubChemData

Smile

CC1(CC2C=CC1C3=C2SC4=CC5=C(C=C4S3)SC(=C6SC7=C(S6)C=C8C(=C7)SC9=C(S8)C1CCC9C=C1)S5)C

DOS

IR

Vibrations