Geometry & MOs

Info

ID:	244520
PubChem CID:	99358108
Reduced:	BrOSN2C16H19 (1)
Stoich.:	ABCD2E16F19 (1)
Weight, g/mol:	460.211055
ΔH_f, kcal/mol:	-3.98
Dipole, Da:	1.35
IP(EA), eV:	-8.83(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(1-hydroxynaphthalene-2-carbonyl)-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCCSCC2=CC=CC=C2)Br

DOS

IR

Vibrations