Geometry & MOs

Info

ID:	175608
PubChem CID:	75927809
Reduced:	N3O4C25H25 (1)
Stoich.:	A3B4C25D25 (1)
Weight, g/mol:	407.081888
ΔH_f, kcal/mol:	-57.79
Dipole, Da:	0.64
IP(EA), eV:	-8.42(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(2-chloropyridin-4-yl)methyl]piperazin-1-yl]sulfonyl-1,6-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2CN(C3=CC=CC=C3O2)CC4=CC=CC=C4OC5=CN=CC=C5

DOS

IR

Vibrations