Geometry & MOs

Info

ID:	125028
PubChem CID:	50907695
Reduced:	ClNSO4H20C24 (1)
Stoich.:	ABCD4E20F24 (1)
Weight, g/mol:	433.134779
ΔH_f, kcal/mol:	-64.31
Dipole, Da:	3.41
IP(EA), eV:	-8.24(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylanilino)-1-benzothiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C3=CC=CC=C3S2)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations