Geometry & MOs

Info

ID:	58079
PubChem CID:	24423904
Reduced:	S2N3O3C22H23 (1)
Stoich.:	A2B3C3D22E23 (1)
Weight, g/mol:	455.133734
ΔH_f, kcal/mol:	-43.56
Dipole, Da:	6.39
IP(EA), eV:	-8.56(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations