Geometry & MOs

Info

ID:	223964
PubChem CID:	85336344
Reduced:	ON8C20H26 (1)
Stoich.:	AB8C20D26 (1)
Weight, g/mol:	392.130697
ΔH_f, kcal/mol:	52.67
Dipole, Da:	2.88
IP(EA), eV:	-9.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzylpiperidin-1-yl)-2-oxo-N-(2-sulfanylidenebenzimidazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1C2=NC(=NC=C2)N3C=CN=C3C)C)C4=NC(=NC=C4)C(C)O

DOS

IR

Vibrations