Geometry & MOs

Info

ID:

44652

PubChem CID:

10505138

Reduced:

N3O4C29H33 (1)

Stoich.:

A3B4C29D33 (1)

Weight, g/mol:

487.214092

ΔHf, kcal/mol:

-88.06

Dipole, Da:

7.27

IP(EA), eV:

 -8.32(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (15S,19S)-15-ethyl-5-(2-methoxyethylsulfamoyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18),16-pentaene-17-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)N=C3C(=CC(=O)C4=C3C=C(C=C4)OCCCCCC(=O)NCC=C)O2

DOS

IR

Vibrations