Geometry & MOs

Info

ID:	37373
PubChem CID:	8020296
Reduced:	BrNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	410.151158
ΔH_f, kcal/mol:	-100.67
Dipole, Da:	5.77
IP(EA), eV:	-8.92(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]1C(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations