Geometry & MOs

Info

ID:	70973
PubChem CID:	48414129
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	338.083747
ΔH_f, kcal/mol:	-11.84
Dipole, Da:	8.0
IP(EA), eV:	-9.03(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzothiazol-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations