Geometry & MOs

Info

ID:

439435

PubChem CID:

135229209

Reduced:

N7O9C21H25 (2)

Stoich.:

A7B9C21D25 (2)

Weight, g/mol:

358.225643

ΔHf, kcal/mol:

-654.56

Dipole, Da:

18.6

IP(EA), eV:

 -9.69(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (13R,15S,17S)-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),6,8-triene-13-carboxylate

Drug info:

PubChemData

Smile

C#CC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

DOS

IR

Vibrations