Geometry & MOs

Info

ID:	123825
PubChem CID:	50862818
Reduced:	SO2N3C29H35 (1)
Stoich.:	AB2C3D29E35 (1)
Weight, g/mol:	473.267842
ΔH_f, kcal/mol:	-57.11
Dipole, Da:	10.53
IP(EA), eV:	-8.22(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-1-(2,3-dimethylphenyl)-5-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)C)/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)CC)C(CC1(C)C)C

DOS

IR

Vibrations