Geometry & MOs

Info

ID:

391842

PubChem CID:

135010132

Reduced:

NO2C7H11 (1)

Stoich.:

AB2C7D11 (1)

Weight, g/mol:

683.222633

ΔHf, kcal/mol:

-89.78

Dipole, Da:

0.95

IP(EA), eV:

-9.18(-0.45)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

tert-butyl 4,4,6,6,9,9,11,11,18,18,20,20-dodecamethyl-5,10,19-trioxa-24-aza-4,6,9,11,18,20-hexasilaheptacyclo[12.9.1.02,13.03,7.08,12.015,23.017,21]tetracosa-2(13),3(7),8(12),15,17(21),22-hexaene-24-carboxylate

Drug info:

PubChemData

Smile

C/C(=C(\C)/NC(=O)C)/C=O

DOS

IR

Vibrations