Geometry & MOs

Info

ID:

164492

PubChem CID:

74406262

Reduced:

SN5O10C40H55 (1)

Stoich.:

AB5C10D40E55 (1)

Weight, g/mol:

486.226705

ΔHf, kcal/mol:

-389.03

Dipole, Da:

11.27

IP(EA), eV:

 -8.85(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-hydroxyphenyl)-13-methoxy-8-methyl-6-[2-[methyl(prop-2-ynyl)amino]ethyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Drug info:

PubChemData

Smile

CC1(CCCC2=CC3=C(C=C2OC)N=C(C=C3OC4CC5C(=O)NC6(CC6CCCCCCCC(C(=O)N5C4)NC(=O)OC1)C(=O)NS(=O)(=O)C7CC7)OC)C

DOS

IR

Vibrations