Geometry & MOs

Info

ID:	58081
PubChem CID:	24423912
Reduced:	ClFS2N3O3H19C21 (1)
Stoich.:	ABC2D3E3F19G21 (1)
Weight, g/mol:	437.144299
ΔH_f, kcal/mol:	-89.09
Dipole, Da:	5.29
IP(EA), eV:	-8.84(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations