Geometry & MOs

Info

ID:	38880
PubChem CID:	8138100
Reduced:	SN4O4C19H24 (1)
Stoich.:	AB4C4D19E24 (1)
Weight, g/mol:	404.151826
ΔH_f, kcal/mol:	-105.15
Dipole, Da:	5.96
IP(EA), eV:	-9.54(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-[(3R,5R)-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