Geometry & MOs

Info

ID:	153000
PubChem CID:	56312109
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	380.140389
ΔH_f, kcal/mol:	-45.3
Dipole, Da:	3.14
IP(EA), eV:	-7.84(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)S(=O)(=O)NCC3CCN(C3)C4=CC=CC=C4OC)C=CC=N2

DOS

IR

Vibrations