Geometry & MOs

Info

ID:	79861
PubChem CID:	49830891
Reduced:	ClO3N4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	303.90727
ΔH_f, kcal/mol:	-106.04
Dipole, Da:	12.32
IP(EA), eV:	-9.07(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-7-bromo-4-chloro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=O)C(=CNC2=NC(=C1Cl)N3CCC(C3)CN)C(=O)O

DOS

IR

Vibrations