Geometry & MOs

Info

ID:	40899
PubChem CID:	8144925
Reduced:	OSN2C10H14 (2)
Stoich.:	ABC2D10E14 (2)
Weight, g/mol:	420.195703
ΔH_f, kcal/mol:	-35.2
Dipole, Da:	4.61
IP(EA), eV:	-8.2(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 3-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-1-ethyl-2-sulfanylidenebenzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=S)SC(=N2)NC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations