Geometry & MOs

Info

ID:	40587
PubChem CID:	8144381
Reduced:	SO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	355.135448
ΔH_f, kcal/mol:	8.98
Dipole, Da:	4.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.851190
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C3=CC=CC=C3N(C2=S)C[NH+]4CCOCC4

DOS

IR

Vibrations