Geometry & MOs

Info

ID:	39005
PubChem CID:	8138336
Reduced:	FSN4O4C17H19 (1)
Stoich.:	ABC4D4E17F19 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-142.05
Dipole, Da:	3.46
IP(EA), eV:	-9.38(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NNC(=O)C2=CC=CN2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations