Geometry & MOs

Info

ID:	60530
PubChem CID:	26697142
Reduced:	SBr2N2O3C17H18 (1)
Stoich.:	AB2C2D3E17F18 (1)
Weight, g/mol:	454.146347
ΔH_f, kcal/mol:	-83.22
Dipole, Da:	1.38
IP(EA), eV:	-8.64(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-N-(4-ethylphenyl)benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=C(C=CC(=C2)Br)Br

DOS

IR

Vibrations