Geometry & MOs

Info

ID:	172873
PubChem CID:	75563192
Reduced:	SO2N3C26H31 (1)
Stoich.:	AB2C3D26E31 (1)
Weight, g/mol:	518.271548
ΔH_f, kcal/mol:	-32.14
Dipole, Da:	9.07
IP(EA), eV:	-7.9(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(4-morpholin-4-ylphenyl)imino-5-[(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)OC)C=C3C(=O)N(C(=NC4=CC=CC=C4)S3)C)C(CC1(C)C)C

DOS

IR

Vibrations