Geometry & MOs

Info

ID:

188959

PubChem CID:

77794637

Reduced:

O3N4C16H28 (1)

Stoich.:

A3B4C16D28 (1)

Weight, g/mol:

742.218104

ΔHf, kcal/mol:

-151.33

Dipole, Da:

6.98

IP(EA), eV:

 -9.58(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3,5-dichlorophenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1,3-diazinane-2,4-dione;6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCCN1C2C(N=C1CCCCC(C)(C)O)N(C(=O)NC2=O)C

DOS

IR

Vibrations