Geometry & MOs

Info

ID:	79442
PubChem CID:	49748651
Reduced:	SN2O4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	389.140927
ΔH_f, kcal/mol:	-110.26
Dipole, Da:	5.26
IP(EA), eV:	-8.16(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2CCCS2(=O)=O)NC(=O)C3(CC3)C4=CC=CC=C4OC

DOS

IR

Vibrations