Geometry & MOs

Info

ID:	129784
PubChem CID:	51073845
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	310.06551
ΔH_f, kcal/mol:	-70.38
Dipole, Da:	4.94
IP(EA), eV:	-9.1(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-[2-(1-methylimidazol-2-yl)sulfanylethyl]urea

Drug info:

PubChemData

Smile

C1CCN(C1)C(CNS(=O)(=O)CC2=CC=CC=C2)C3=CC=CO3

DOS

IR

Vibrations