Geometry & MOs

Info

ID:	123795
PubChem CID:	50862331
Reduced:	ClSN2O2C26H29 (1)
Stoich.:	ABC2D2E26F29 (1)
Weight, g/mol:	507.252192
ΔH_f, kcal/mol:	-65.79
Dipole, Da:	9.36
IP(EA), eV:	-8.03(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-diphenyl-5-[(2,2,4-trimethyl-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/3\C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl)C(CC1(C)C)C

DOS

IR

Vibrations