Geometry & MOs

Info

ID:

436959

PubChem CID:

135213286

Reduced:

N4C21H38 (1)

Stoich.:

A4B21C38 (1)

Weight, g/mol:

935.551411

ΔHf, kcal/mol:

21.27

Dipole, Da:

2.71

IP(EA), eV:

 -8.55(2.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[(20Z)-14-(3-amino-3-oxopropyl)-17-(hydroxymethyl)-6-(2-methylpropyl)-2,5,8,12,15,18-hexaoxo-22-thia-1,4,7,13,16,19-hexazaspiro[10.12]tricos-20-en-9-yl]amino]-1-oxopropan-2-yl]octadecanamide

Drug info:

PubChemData

Smile

CC(C)N1CC2C(C3C2(C1)CNC3)CC(C)N4CC5(C4)CCNCC5

DOS

IR

Vibrations