Geometry & MOs

Info

ID:

215113

PubChem CID:

85084174

Reduced:

O7N11C32H55 (1)

Stoich.:

A7B11C32D55 (1)

Weight, g/mol:

706.22434

ΔHf, kcal/mol:

-314.39

Dipole, Da:

5.45

IP(EA), eV:

 -9.2(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

33-hydroxy-22-(hydroxymethyl)-14,21-dimethyl-13,16-bis(methylsulfanyl)-13-propan-2-yl-18-oxa-9,11,14,21,24,26-hexazanonacyclo[17.13.1.01,25.02,10.02,17.03,8.011,16.019,24.027,32]tritriaconta-3,5,7,27,29,31-hexaene-12,15,20,23-tetrone

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)NC(=O)CN

DOS

IR

Vibrations