Geometry & MOs

Info

ID:	195466
PubChem CID:	78690214
Reduced:	SN2O5H14C17 (1)
Stoich.:	AB2C5D14E17 (1)
Weight, g/mol:	402.091725
ΔH_f, kcal/mol:	-76.2
Dipole, Da:	1.9
IP(EA), eV:	-8.89(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4,6-dimethylphenyl)-3-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)thiourea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=C(CC(=O)O)C2=NC(=NO2)C3=CSC=C3)O

DOS

IR

Vibrations