Geometry & MOs

Info

ID:

419750

PubChem CID:

135108937

Reduced:

O3N4C20H26 (1)

Stoich.:

A3B4C20D26 (1)

Weight, g/mol:

647.277755

ΔHf, kcal/mol:

-57.36

Dipole, Da:

6.14

IP(EA), eV:

 -8.97(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-22-methoxy-13-(5-methylthiophene-2-carbonyl)-5-(3-pyridin-3-ylpropanoyl)-2-oxa-5,8,13,17-tetrazatricyclo[17.3.1.13,6]tetracosa-1(22),19(23),20-triene-7,18-dione

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C3=NC=CC(=C3)C(=O)N4CCCCC4

DOS

IR

Vibrations