Geometry & MOs

Info

ID:	88569
PubChem CID:	49955434
Reduced:	ClSO2N5C15H23 (1)
Stoich.:	ABC2D5E15F23 (1)
Weight, g/mol:	480.052274
ΔH_f, kcal/mol:	41.91
Dipole, Da:	3.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.813780
Charge, e:	-2

Chem-info

IUPAC name:

5-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one;dichloride

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CNCCCSC2=NN=NN2C)OC.[Cl-]

DOS

IR

Vibrations