Geometry & MOs

Info

ID:	156180
PubChem CID:	56369417
Reduced:	O4N5C19H27 (1)
Stoich.:	A4B5C19D27 (1)
Weight, g/mol:	418.088181
ΔH_f, kcal/mol:	-83.42
Dipole, Da:	4.41
IP(EA), eV:	-9.49(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-[4-(5-nitropyridin-2-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations