Geometry & MOs

Info

ID:	38879
PubChem CID:	8138099
Reduced:	SN4O4C19H24 (1)
Stoich.:	AB4C4D19E24 (1)
Weight, g/mol:	404.151826
ΔH_f, kcal/mol:	-104.29
Dipole, Da:	7.22
IP(EA), eV:	-9.44(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CN3)C

DOS

IR

Vibrations