Geometry & MOs

Info

ID:	38994
PubChem CID:	8138308
Reduced:	ClSO2N5C14H16 (1)
Stoich.:	ABC2D5E14F16 (1)
Weight, g/mol:	420.146741
ΔH_f, kcal/mol:	-35.48
Dipole, Da:	1.9
IP(EA), eV:	-8.88(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SCCCC(=O)OCC2=NC(=NC(=N2)N)N)Cl

DOS

IR

Vibrations