Geometry & MOs

Info

ID:	26030
PubChem CID:	636497
Reduced:	ClO3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	312.120903
ΔH_f, kcal/mol:	-90.13
Dipole, Da:	1.65
IP(EA), eV:	-8.39(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R,5R,9S,10R,11S,12S,13R)-2,4,11,12-tetrahydroxy-2,11-dimethyl-6-methylidene-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-7-one

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1C3=C(C(=C(C=C3O2)OC)Cl)C)O

DOS

IR

Vibrations