Geometry & MOs

Info

ID:	63161
PubChem CID:	26746561
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	497.162057
ΔH_f, kcal/mol:	-168.6
Dipole, Da:	3.73
IP(EA), eV:	-8.35(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide

Drug info:

PubChemData

Smile

CCC(=O)O[C@H](C)C(=O)NC1=CC=C(C=C1)OCC

DOS

IR

Vibrations