Geometry & MOs

Info

ID:	125026
PubChem CID:	50907693
Reduced:	SO5H24C26 (1)
Stoich.:	AB5C24D26 (1)
Weight, g/mol:	419.119129
ΔH_f, kcal/mol:	-102.33
Dipole, Da:	2.3
IP(EA), eV:	-8.45(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-anilino-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=C(SC3=CC=CC=C32)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations