Geometry & MOs

Info

ID:

418719

PubChem CID:

135106640

Reduced:

O2N4C17H22 (1)

Stoich.:

A2B4C17D22 (1)

Weight, g/mol:

546.247835

ΔHf, kcal/mol:

-42.32

Dipole, Da:

5.7

IP(EA), eV:

 -9.68(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CC(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations