Geometry & MOs

Info

ID:	125025
PubChem CID:	50907692
Reduced:	ClNS2O4H14C21 (1)
Stoich.:	ABC2D4E14F21 (1)
Weight, g/mol:	448.134445
ΔH_f, kcal/mol:	-56.93
Dipole, Da:	5.93
IP(EA), eV:	-9.32(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)/C=C/C2=CC=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O)Cl

DOS

IR

Vibrations