Geometry & MOs

Info

ID:	379690
PubChem CID:	134457432
Reduced:	FO3N4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	504.233683
ΔH_f, kcal/mol:	-53.63
Dipole, Da:	4.37
IP(EA), eV:	-8.62(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-[1-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]-1-(3,4-difluorophenyl)piperidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N=C(N3)[C@@H]4CCC(=O)N4C5=CC(=C(C=C5)OC)F

DOS

IR

Vibrations