Geometry & MOs

Info

ID:	379698
PubChem CID:	134459350
Reduced:	SF3O4N7C34H34 (1)
Stoich.:	AB3C4D7E34F34 (1)
Weight, g/mol:	405.02883
ΔH_f, kcal/mol:	-215.57
Dipole, Da:	5.61
IP(EA), eV:	-8.94(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-(6-bromo-1H-benzimidazol-2-yl)-1-(3,4-difluorophenyl)piperidin-2-one

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C)N\2C(=O)CS/C2=N\C(=O)NC(CCC3=CC=C(C=C3)C4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F)N(C)C(=O)C

DOS

IR

Vibrations