Geometry & MOs

Info

ID:	40586
PubChem CID:	8144380
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	356.143273
ΔH_f, kcal/mol:	-21.34
Dipole, Da:	5.99
IP(EA), eV:	-8.2(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-3-(morpholin-4-ium-4-ylmethyl)benzimidazole-2-thione

Drug info:

PubChemData

Smile

CC(C)CN1C(=NN(C1=S)CN2CCOCC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations