Geometry & MOs

Info

ID:	155787
PubChem CID:	56367548
Reduced:	NO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	442.00991
ΔH_f, kcal/mol:	-158.7
Dipole, Da:	5.42
IP(EA), eV:	-9.06(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromopyridin-2-yl)sulfanyl-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)/C=C/C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations