Geometry & MOs

Info

ID:	397217
PubChem CID:	135029901
Reduced:	OC4H7 (6)
Stoich.:	AB4C7 (6)
Weight, g/mol:	394.068867
ΔH_f, kcal/mol:	-359.83
Dipole, Da:	4.96
IP(EA), eV:	-10.52(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7,17,19-tetrahydroxy-11-(hydroxymethyl)-2,22-dioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-3(12),4,6,8,10,13,16,18,20-nonaen-15-one

Drug info:

PubChemData

Smile

CCC1CCCCC(=O)OC(CCCCC(=O)OC(CCCCC(=O)O1)CC)CC

DOS

IR

Vibrations