Geometry & MOs

Info

ID:	58108
PubChem CID:	24424151
Reduced:	SCl2N2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	445.126062
ΔH_f, kcal/mol:	-4.77
Dipole, Da:	8.21
IP(EA), eV:	-8.44(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1-cyclohexyl-1-ethylthiourea

Drug info:

PubChemData

Smile

CCN(C1CCCCC1)C(=S)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations