Geometry & MOs

Info

ID:

2037

PubChem CID:

5633

Reduced:

S2O3N4C16H21 (2)

Stoich.:

A2B3C4D16E21 (2)

Weight, g/mol:

762.211016

ΔHf, kcal/mol:

-175.02

Dipole, Da:

5.54

IP(EA), eV:

 -8.64(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,18-dimethyl-8,22-bis(2-methylpropyl)-3,17-dioxa-10,24,30,31-tetrathia-7,14,21,28,33,34,35,36-octazahexacyclo[13.13.4.12,5.19,12.116,19.123,26]hexatriaconta-2(36),9(35),11,16(34),23(33),25-hexaene-6,13,20,27-tetrone

Drug info:

PubChemData

Smile

CC1C2C(=O)NC(C3=NC(=CS3)C(=O)NC4CSSCC(C(=N2)O1)NC(=O)C5=CSC(=N5)C(NC(=O)C6C(OC4=N6)C)CC(C)C)CC(C)C

DOS

IR

Vibrations