Geometry & MOs

Info

ID:	56260
PubChem CID:	17422889
Reduced:	ClN2O5H15C16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	360.017325
ΔH_f, kcal/mol:	-90.67
Dipole, Da:	9.42
IP(EA), eV:	-8.98(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilino-N-(4,5-dihydro-1,3-thiazol-2-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

DOS

IR

Vibrations