Geometry & MOs

Info

ID:

2058

PubChem CID:

5682

Reduced:

S3N7O8C37H49 (1)

Stoich.:

A3B7C8D37E49 (1)

Weight, g/mol:

815.280475

ΔHf, kcal/mol:

-269.64

Dipole, Da:

10.42

IP(EA), eV:

 -8.28(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-benzyl-11,26-bis(2-methylsulfinylethyl)-31-thia-3,9,12,18,24,27,32-heptazapentacyclo[27.2.1.05,9.014,18.020,24]dotriaconta-1(32),29-diene-4,10,13,19,25,28-hexone

Drug info:

PubChemData

Smile

CS(=O)CCC1C(=O)N2CCCC2C(=O)NC(C3=NC(=CS3)C(=O)NC(C(=O)N4CCCC4C(=O)N5CCCC5C(=O)N1)CCS(=O)C)CC6=CC=CC=C6

DOS

IR

Vibrations