Geometry & MOs

Info

ID:	155733
PubChem CID:	56367254
Reduced:	O4N5C25H27 (1)
Stoich.:	A4B5C25D27 (1)
Weight, g/mol:	454.0362
ΔH_f, kcal/mol:	-87.38
Dipole, Da:	5.29
IP(EA), eV:	-9.04(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-fluoro-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C)C(=O)CN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4

DOS

IR

Vibrations