Geometry & MOs

Info

ID:	38878
PubChem CID:	8138096
Reduced:	FN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	404.151826
ΔH_f, kcal/mol:	-123.31
Dipole, Da:	2.72
IP(EA), eV:	-8.78(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=O)O[C@H](C)C2=NN=C(O2)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations