Geometry & MOs

Info

ID:	58080
PubChem CID:	24423910
Reduced:	S2N3O3C23H25 (1)
Stoich.:	A2B3C3D23E25 (1)
Weight, g/mol:	479.05404
ΔH_f, kcal/mol:	-50.83
Dipole, Da:	2.04
IP(EA), eV:	-8.68(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-fluorophenyl)-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=S)NC2=CC(=C(C=C2)C)S(=O)(=O)NC3=CC=CC=C3OC)C

DOS

IR

Vibrations