Geometry & MOs

Info

ID:	58061
PubChem CID:	24423821
Reduced:	ClS2N3O3C20H24 (1)
Stoich.:	AB2C3D3E20F24 (1)
Weight, g/mol:	407.074026
ΔH_f, kcal/mol:	-76.54
Dipole, Da:	1.75
IP(EA), eV:	-8.7(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(3-methoxypropyl)thiourea

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations