Geometry & MOs

Info

ID:	34491
PubChem CID:	7978542
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	380.094312
ΔH_f, kcal/mol:	-73.06
Dipole, Da:	7.47
IP(EA), eV:	-9.36(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-N'-[2-(4-cyanophenoxy)acetyl]propanehydrazide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NNC(=O)COC2=CC=C(C=C2)C#N

DOS

IR

Vibrations