Geometry & MOs

Info

ID:	431263
PubChem CID:	135171334
Reduced:	O2N4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	432.198383
ΔH_f, kcal/mol:	21.3
Dipole, Da:	7.9
IP(EA), eV:	-9.12(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC3=CC=CC=C3O2)C(=O)C4=CC5=C(N4)C=CC(=C5)C#N

DOS

IR

Vibrations