Geometry & MOs

Info

ID:

124013

PubChem CID:

50869880

Reduced:

SN3O4C30H35 (1)

Stoich.:

AB3C4D30E35 (1)

Weight, g/mol:

543.115018

ΔHf, kcal/mol:

-135.03

Dipole, Da:

10.94

IP(EA), eV:

 -8.14(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-1-(2,3-dichlorophenyl)-5-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)OC)/C=C/3\C(=O)N(C(=O)S3)CC(=O)NC4=C(C=C(C=C4)C)C)C(=CC1(C)C)C

DOS

IR

Vibrations