Geometry & MOs

Info

ID:	34465
PubChem CID:	7978496
Reduced:	ClN3O4C14H22 (1)
Stoich.:	AB3C4D14E22 (1)
Weight, g/mol:	371.093977
ΔH_f, kcal/mol:	-161.21
Dipole, Da:	4.47
IP(EA), eV:	-9.74(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-cyanophenoxy)acetyl]-2-methoxy-4-methylsulfanylbenzohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NCCOC)Cl

DOS

IR

Vibrations