Geometry & MOs

Info

ID:

938

PubChem CID:

3554

Reduced:

S3O6N7C37H49 (1)

Stoich.:

A3B6C7D37E49 (1)

Weight, g/mol:

783.290646

ΔHf, kcal/mol:

-217.7

Dipole, Da:

6.95

IP(EA), eV:

 -8.67(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-benzyl-11,26-bis(2-methylsulfanylethyl)-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

CSCCC1C(=O)N2CCCC2C(=O)NC(C3=NC(=CS3)C(=O)NC(C(=O)N4CCCC4C(=O)N5CCCC5C(=O)N1)CCSC)CC6=CC=CC=C6

DOS

IR

Vibrations