Geometry & MOs

Info

ID:	326868
PubChem CID:	126688449
Reduced:	N4O5C22H24 (1)
Stoich.:	A4B5C22D24 (1)
Weight, g/mol:	501.168205
ΔH_f, kcal/mol:	-136.88
Dipole, Da:	3.82
IP(EA), eV:	-8.69(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylsulfamoyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C1COCC(=O)N1C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC=CC(=C4)CO)CCCO

DOS

IR

Vibrations