Geometry & MOs

Info

ID:	343693
PubChem CID:	127266869
Reduced:	N2S2O3C15H18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	280.109089
ΔH_f, kcal/mol:	-86.83
Dipole, Da:	1.71
IP(EA), eV:	-9.3(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-ethyl-1-methylurea

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)CNS(=O)(=O)C2=CSC3=CC=CC=C32

DOS

IR

Vibrations