Geometry & MOs

Info

ID:

415469

PubChem CID:

135088464

Reduced:

ON2C8H11 (2)

Stoich.:

AB2C8D11 (2)

Weight, g/mol:

677.299553

ΔHf, kcal/mol:

-19.37

Dipole, Da:

3.05

IP(EA), eV:

 -8.61(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,8S,14S)-14-benzyl-10-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoyl]-5,17-dimethyl-8-propan-2-yl-1,4,7,10,13,16,18-heptazabicyclo[13.3.0]octadeca-15,17-diene-3,6,12-trione

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCN(C)CC(=O)NC2=CC=CC=C2OC

DOS

IR

Vibrations