Geometry & MOs

Info

ID:	302159
PubChem CID:	124349732
Reduced:	BrOSN4H21C24 (1)
Stoich.:	ABCD4E21F24 (1)
Weight, g/mol:	398.175419
ΔH_f, kcal/mol:	77.01
Dipole, Da:	8.66
IP(EA), eV:	-8.95(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4S)-4-(4-fluorophenyl)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations