Geometry & MOs

Info

ID:	217082
PubChem CID:	85087216
Reduced:	SN2O4H14C16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	330.115047
ΔH_f, kcal/mol:	-8.51
Dipole, Da:	8.42
IP(EA), eV:	-9.11(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-(7-azabicyclo[2.2.1]heptan-2-yl)-1,3-benzothiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)C=CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations