Geometry & MOs

Info

ID:	156340
PubChem CID:	56370197
Reduced:	SN3O3C26H33 (1)
Stoich.:	AB3C3D26E33 (1)
Weight, g/mol:	447.09577
ΔH_f, kcal/mol:	-109.96
Dipole, Da:	2.93
IP(EA), eV:	-8.16(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-fluoro-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=CC=CC=C3SCC4CCCO4

DOS

IR

Vibrations