Geometry & MOs

Info

ID:	62164
PubChem CID:	26717825
Reduced:	N3O7H17C20 (1)
Stoich.:	A3B7C17D20 (1)
Weight, g/mol:	468.110356
ΔH_f, kcal/mol:	-91.4
Dipole, Da:	7.6
IP(EA), eV:	-9.28(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NNC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations