Geometry & MOs

Info

ID:	304333
PubChem CID:	124534952
Reduced:	BrSN3O7C25H26 (1)
Stoich.:	ABC3D7E25F26 (1)
Weight, g/mol:	528.0177
ΔH_f, kcal/mol:	-153.13
Dipole, Da:	1.47
IP(EA), eV:	-8.19(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-phenylethyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N(CC(=O)N/N=C\C2=CC(=C(C(=C2)Br)OC)OC)S(=O)(=O)C3=CC=CC=C3)OC

DOS

IR

Vibrations