Geometry & MOs

Info

ID:

395632

PubChem CID:

135026060

Reduced:

SO13N16C58H88 (1)

Stoich.:

AB13C16D58E88 (1)

Weight, g/mol:

280.193949

ΔHf, kcal/mol:

-628.89

Dipole, Da:

6.1

IP(EA), eV:

 -8.75(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene

Drug info:

PubChemData

Smile

CCCCC(C(=O)N)NC(=O)[C@H](CC1CCCCC1)NC(=O)C(CC2=CN=CN2)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCC(=O)N)NC(=O)CCNC(=O)CCNC(=O)C(CS)NC(=O)C

DOS

IR

Vibrations