Geometry & MOs

Info

ID:

438758

PubChem CID:

135228512

Reduced:

NO2C26H31 (1)

Stoich.:

AB2C26D31 (1)

Weight, g/mol:

503.351178

ΔHf, kcal/mol:

-29.72

Dipole, Da:

8.74

IP(EA), eV:

 -7.75(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (4E,7E)-11-[(Z)-1-amino-3-(3-methylbut-3-enylimino)prop-1-en-2-yl]-2-tert-butyl-10-ethyl-8-methyl-6-methylidene-2,3-dihydro-1H-3-benzazecine-5-carboxylate

Drug info:

PubChemData

Smile

C/C(=C(/C)\C1=C(C=C2C(=C1)CC(N3C2=CC(=C)C(=C3)C(=C)O)C(C)(C)C)O)/C=C

DOS

IR

Vibrations