Geometry & MOs

Info

ID:	38855
PubChem CID:	8138059
Reduced:	SN4O4C18H22 (1)
Stoich.:	AB4C4D18E22 (1)
Weight, g/mol:	404.151826
ΔH_f, kcal/mol:	-96.98
Dipole, Da:	3.94
IP(EA), eV:	-9.46(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations