Geometry & MOs

Info

ID:	297021
PubChem CID:	117606278
Reduced:	NOC10H11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	400.124549
ΔH_f, kcal/mol:	26.07
Dipole, Da:	2.48
IP(EA), eV:	-9.6(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-phenyl-3H-pyrrol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide

Drug info:

PubChemData

Smile

C#CCCNC(=O)C1=CC=CC1

DOS

IR

Vibrations