Geometry & MOs

Info

ID:

296826

PubChem CID:

117595128

Reduced:

SN2O10C32H40 (1)

Stoich.:

AB2C10D32E40 (1)

Weight, g/mol:

508.246104

ΔHf, kcal/mol:

-404.92

Dipole, Da:

2.21

IP(EA), eV:

 -7.97(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one;5-hydroxy-2,8-dimethyl-6,7,8,9-tetrahydropyrano[3,2-h][1]benzoxepin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(C=C1C)O)O.CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.C(C(C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations