Geometry & MOs

Info

ID:

414489

PubChem CID:

135087447

Reduced:

N3O3C24H31 (1)

Stoich.:

A3B3C24D31 (1)

Weight, g/mol:

542.267525

ΔHf, kcal/mol:

-118.66

Dipole, Da:

6.26

IP(EA), eV:

 -8.31(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-11-(cyclobutanecarbonyl)-21-methyl-17-(2-methylsulfanylethyl)-2-oxa-6,7,8,11,15,18-hexazatricyclo[18.3.1.16,9]pentacosa-1(24),7,9(25),20,22-pentaene-16,19-dione

Drug info:

PubChemData

Smile

CC(C)CN1CC(CC1=O)C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations