Geometry & MOs

Info

ID:	156120
PubChem CID:	56369224
Reduced:	BrO2N4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	473.198442
ΔH_f, kcal/mol:	-8.23
Dipole, Da:	5.86
IP(EA), eV:	-8.85(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperidin-4-yl]propane-1-sulfonamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NC(C2=CC=C(C=C2)OC)C3=NC=CN3C)Br

DOS

IR

Vibrations