Geometry & MOs

Info

ID:	235157
PubChem CID:	92304144
Reduced:	FOSN4C21H23 (1)
Stoich.:	ABCD4E21F23 (1)
Weight, g/mol:	325.11365
ΔH_f, kcal/mol:	-14.01
Dipole, Da:	1.82
IP(EA), eV:	-8.87(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-6-ethoxy-1-benzothiophen-3-one

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)F)C

DOS

IR

Vibrations