Geometry & MOs

Info

ID:

219498

PubChem CID:

85148762

Reduced:

NO5H27C33 (1)

Stoich.:

AB5C27D33 (1)

Weight, g/mol:

517.214761

ΔHf, kcal/mol:

-29.0

Dipole, Da:

3.07

IP(EA), eV:

 -8.72(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-methyl-18-(piperidin-1-ylmethyl)-16-oxa-8-thia-9,12,22,24-tetrazahexacyclo[15.6.2.16,9.112,15.02,7.021,25]heptacosa-2,4,6,17,19,21,24-heptaene-23,27-dione

Drug info:

PubChemData

Smile

CC1C2C(C(C3=C1C(N(C4=C3C=C(C=C4)O)C(=O)OC)C#C)C#C)OC(O2)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations