Geometry & MOs

Info

ID:	156217
PubChem CID:	56369631
Reduced:	BrFON2C17H18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	420.150764
ΔH_f, kcal/mol:	-35.11
Dipole, Da:	2.13
IP(EA), eV:	-9.22(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxynaphthalene-2-carbonyl)-N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC2(CC2)C3=CC=C(C=C3)F)Br

DOS

IR

Vibrations