Geometry & MOs

Info

ID:	135954
PubChem CID:	51958954
Reduced:	FN2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	427.05315
ΔH_f, kcal/mol:	-108.79
Dipole, Da:	3.7
IP(EA), eV:	-9.2(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[4-[2-oxo-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](C2=CC=CC=C2C1)NC(=O)CNC(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations