Geometry & MOs

Info

ID:

408802

PubChem CID:

135081570

Reduced:

SeN4H8C13 (1)

Stoich.:

AB4C8D13 (1)

Weight, g/mol:

748.310829

ΔHf, kcal/mol:

124.99

Dipole, Da:

0.9

IP(EA), eV:

-8.39(-1.42)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

diethyl (12S,13S,22R,23R)-18-ethyl-12-(3-methoxy-3-oxopropyl)-13,17,22,31-tetramethyl-7,9-dioxo-8-oxa-4,28,29,30-tetrazaheptacyclo[19.6.1.13,6.111,14.116,19.05,10.022,27]hentriaconta-1,3(31),5,10,14(30),15,17,19,21(28),24,26-undecaene-23,24-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3N=CC=C4N3C(=NC=N4)[Se]2

DOS

IR

Vibrations