Geometry & MOs

Info

ID:	156276
PubChem CID:	56369920
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	410.96552
ΔH_f, kcal/mol:	-117.35
Dipole, Da:	3.94
IP(EA), eV:	-8.63(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-(2-morpholin-4-ylsulfonylethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(C)CNC(=O)C2CCCN2C(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations