Geometry & MOs

Info

ID:	155948
PubChem CID:	56368440
Reduced:	BrClSO2N3C15H15 (1)
Stoich.:	ABCD2E3F15G15 (1)
Weight, g/mol:	437.231456
ΔH_f, kcal/mol:	-25.78
Dipole, Da:	4.0
IP(EA), eV:	-9.2(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NNC(=O)CSC2=CC=C(C=C2)Cl)Br

DOS

IR

Vibrations