Geometry & MOs

Info

ID:	60280
PubChem CID:	26676098
Reduced:	Cl2N2O3H12C14 (1)
Stoich.:	A2B2C3D12E14 (1)
Weight, g/mol:	454.090011
ΔH_f, kcal/mol:	-43.33
Dipole, Da:	7.68
IP(EA), eV:	-9.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chlorophenyl)ethyl]-3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]thiourea

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=N\OCC(=O)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations