Geometry & MOs

Info

ID:	123735
PubChem CID:	50860166
Reduced:	ON2C23H30 (1)
Stoich.:	AB2C23D30 (1)
Weight, g/mol:	525.10856
ΔH_f, kcal/mol:	-7.34
Dipole, Da:	4.95
IP(EA), eV:	-7.79(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-1-(4-bromo-2-methylphenyl)-5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C=NC3=CC=CC=C3OCC)C(CC1(C)C)C

DOS

IR

Vibrations