Geometry & MOs

Info

ID:	431019
PubChem CID:	135171089
Reduced:	OSN5C24H27 (1)
Stoich.:	ABC5D24E27 (1)
Weight, g/mol:	433.193632
ΔH_f, kcal/mol:	42.29
Dipole, Da:	2.96
IP(EA), eV:	-9.06(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,3-benzothiazol-2-ylmethylamino)cyclohexyl]-N-ethyl-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=NC3=CC=CC=C3S2)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations