Geometry & MOs

Info

ID:	123408
PubChem CID:	50846024
Reduced:	ClNSO2H14C17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	405.080157
ΔH_f, kcal/mol:	-25.07
Dipole, Da:	4.44
IP(EA), eV:	-8.69(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(SC2=C1C=C(C=C2)Cl)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations