Geometry & MOs

Info

ID:	61924
PubChem CID:	26715879
Reduced:	ClSN2O3H21C23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	412.199822
ΔH_f, kcal/mol:	-42.32
Dipole, Da:	0.86
IP(EA), eV:	-8.84(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N'-[2-(4-methoxyphenyl)acetyl]prop-2-enehydrazide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NNC(=O)C2=CC=CC(=C2)CSC3=CC=C(C=C3)Cl

DOS

IR

Vibrations