Geometry & MOs

Info

ID:	320366
PubChem CID:	126659900
Reduced:	NOSC16H21 (1)
Stoich.:	ABCD16E21 (1)
Weight, g/mol:	383.146762
ΔH_f, kcal/mol:	-21.85
Dipole, Da:	5.63
IP(EA), eV:	-8.34(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[4-(azepan-1-yl)cyclopenta-1,3-dien-1-yl]methylidene]-2-(4-fluoroanilino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=CC(=C2C(=C)OC)NC(=S)C

DOS

IR

Vibrations