Geometry & MOs

Info

ID:

436988

PubChem CID:

135213543

Reduced:

IN2O2C5H9 (1)

Stoich.:

AB2C2D5E9 (1)

Weight, g/mol:

1293.557199

ΔHf, kcal/mol:

-65.35

Dipole, Da:

2.42

IP(EA), eV:

-9.39(-3.0)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl (6E,9R,15S,17S)-23-chloro-9-hydroxy-8,24-dimethoxy-3,14,17,21-tetramethyl-18-(2-methylpropanoyloxy)-11,20-dioxo-12,16-dioxa-4,10,21-triazapentacyclo[20.3.1.19,13.03,5.015,17]heptacosa-1(26),6,22,24-tetraene-4-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1)C(=O)OI

DOS

IR

Vibrations