Geometry & MOs

Info

ID:	68820
PubChem CID:	46509154
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	448.139154
ΔH_f, kcal/mol:	-40.47
Dipole, Da:	7.69
IP(EA), eV:	-9.25(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations