Geometry & MOs

Info

ID:

38405

PubChem CID:

8035183

Reduced:

ON3C15H22 (1)

Stoich.:

AB3C15D22 (1)

Weight, g/mol:

414.124943

ΔHf, kcal/mol:

-8.72

Dipole, Da:

6.92

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.078418

Charge, e:

 0

Chem-info

IUPAC name:

2-[12,12-dimethyl-3,5-dioxo-6-(2-phenylethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-4-yl]acetic acid

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C[NH2+]C3CCCC3)N(C1=O)C

DOS

IR

Vibrations