Geometry & MOs

Info

ID:

44924

PubChem CID:

10506549

Reduced:

S2N5O6C23H31 (1)

Stoich.:

A2B5C6D23E31 (1)

Weight, g/mol:

537.171576

ΔHf, kcal/mol:

-233.47

Dipole, Da:

12.43

IP(EA), eV:

 -8.41(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl (6R,9R,14R,17R)-7,16-dioxo-11,12-dithia-2,8,15,21,26-pentazatetracyclo[20.3.1.02,6.017,21]hexacosa-1(26),22,24-triene-9,14-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC(=C(S1)CC[C@H]2CNC3=C(S2)C(=O)N=C(N3)N)C

DOS

IR

Vibrations