Geometry & MOs

Info

ID:	123961
PubChem CID:	50867822
Reduced:	FSN2O3C26H27 (1)
Stoich.:	ABC2D3E26F27 (1)
Weight, g/mol:	445.200156
ΔH_f, kcal/mol:	-120.66
Dipole, Da:	7.57
IP(EA), eV:	-8.0(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)OC)/C=C/3\C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F)C(=CC1(C)C)C

DOS

IR

Vibrations