Geometry & MOs

Info

ID:	38992
PubChem CID:	8138306
Reduced:	ClSN2O4C18H23 (1)
Stoich.:	ABC2D4E18F23 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-147.35
Dipole, Da:	3.36
IP(EA), eV:	-9.08(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CC1)C(=O)COC(=O)CCCSC2=CC=C(C=C2)Cl

DOS

IR

Vibrations