Geometry & MOs

Info

ID:	79443
PubChem CID:	49748665
Reduced:	SN3O4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-134.67
Dipole, Da:	3.91
IP(EA), eV:	-8.14(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)NC2=C(C=CC(=C2)N3CCCS3(=O)=O)OC)C

DOS

IR

Vibrations