Geometry & MOs

Info

ID:

172874

PubChem CID:

75563551

Reduced:

SO2N4C30H38 (1)

Stoich.:

AB2C4D30E38 (1)

Weight, g/mol:

509.190376

ΔHf, kcal/mol:

-30.99

Dipole, Da:

6.89

IP(EA), eV:

 -7.83(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1-(3,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)C=C3C(=O)N(C(=NC4=CC=C(C=C4)N5CCOCC5)S3)C)C(CC1(C)C)C

DOS

IR

Vibrations