Geometry & MOs

Info

ID:

438605

PubChem CID:

135228349

Reduced:

N17O26C82H107 (1)

Stoich.:

A17B26C82D107 (1)

Weight, g/mol:

212.069343

ΔHf, kcal/mol:

-1070.2

Dipole, Da:

13.93

IP(EA), eV:

 -9.05(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-methyl-3,5-bis(methylsulfanylmethyl)benzene

Drug info:

PubChemData

Smile

CC(C(=O)N)NC(=O)C(C(C)(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC3=CC=CC4=CC=CC=C43)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)CCC#C

DOS

IR

Vibrations