Geometry & MOs

Info

ID:	40672
PubChem CID:	8144502
Reduced:	SO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	369.151098
ΔH_f, kcal/mol:	7.16
Dipole, Da:	3.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.794346
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethoxyphenyl)-3-(morpholin-4-ylmethyl)benzimidazole-2-thione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N(C2=S)C[NH+]4CCOCC4

DOS

IR

Vibrations