Geometry & MOs

Info

ID:	62144
PubChem CID:	26717756
Reduced:	BrSN2O4H17C20 (1)
Stoich.:	ABC2D4E17F20 (1)
Weight, g/mol:	459.128649
ΔH_f, kcal/mol:	-46.76
Dipole, Da:	2.04
IP(EA), eV:	-9.18(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-4-ethoxybenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NNC(=O)CSC3=CC=C(C=C3)Br

DOS

IR

Vibrations