Geometry & MOs

Info

ID:

82572

PubChem CID:

49856196

Reduced:

PO2C26H35 (1)

Stoich.:

AB2C26D35 (1)

Weight, g/mol:

773.309449

ΔHf, kcal/mol:

-84.84

Dipole, Da:

3.33

IP(EA), eV:

 -8.27(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15S,18S)-18-tert-butyl-N-[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-22,22-dimethyl-17,20-dioxo-12,21,24-trioxa-10,16,19-triazapentacyclo[23.3.1.113,16.02,11.04,9]triaconta-1(29),2,4,6,8,10,25,27-octaene-15-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=CC(=CC=C2)P(C3CCCCC3)C4CCCCC4)OC

DOS

IR

Vibrations