Geometry & MOs

Info

ID:	24285
PubChem CID:	609082
Reduced:	NSCl2O4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	427.041185
ΔH_f, kcal/mol:	-163.27
Dipole, Da:	3.59
IP(EA), eV:	-8.47(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C(=CC(=C3)Cl)Cl)OC

DOS

IR

Vibrations