Geometry & MOs

Info

ID:

168772

PubChem CID:

75016609

Reduced:

N3O3C21H26 (2)

Stoich.:

A3B3C21D26 (2)

Weight, g/mol:

460.12256

ΔHf, kcal/mol:

-199.49

Dipole, Da:

4.99

IP(EA), eV:

 -9.43(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-ethenyl-4,6,13,13,20-pentamethyl-9,18-dioxo-5,8,10,17,19-pentaoxa-9lambda4,18lambda4-dithiapentacyclo[10.7.1.01,6.07,11.016,20]icosan-2-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC1=CN=CC=C1)NC(=O)C(C(C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)O)NCC4=CC=CC=C4

DOS

IR

Vibrations