Geometry & MOs

Info

ID:	58062
PubChem CID:	24423834
Reduced:	ClS2N3O4C15H22 (1)
Stoich.:	AB2C3D4E15F22 (1)
Weight, g/mol:	431.110412
ΔH_f, kcal/mol:	-132.8
Dipole, Da:	5.22
IP(EA), eV:	-8.78(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(2-methylcyclohexyl)thiourea

Drug info:

PubChemData

Smile

COCCCNC(=S)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCOCC2

DOS

IR

Vibrations