Geometry & MOs

Info

ID:

417904

PubChem CID:

135103039

Reduced:

O2N5C18H25 (1)

Stoich.:

A2B5C18D25 (1)

Weight, g/mol:

588.226723

ΔHf, kcal/mol:

-51.13

Dipole, Da:

6.91

IP(EA), eV:

 -9.23(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,11S)-9-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-17-methyl-1,4,5,6,9,14,17-heptazatetracyclo[17.3.1.13,6.07,11]tetracosa-3(24),4,19,21-tetraene-13,18,23-trione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCCC(=O)NCCCN2C(=NC(=N2)C)C

DOS

IR

Vibrations