Geometry & MOs

Info

ID:	169028
PubChem CID:	75056020
Reduced:	IO2N4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	378.197714
ΔH_f, kcal/mol:	1.51
Dipole, Da:	7.79
IP(EA), eV:	-9.23(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(2,6-dimethylphenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1C(C(C(C(=O)N1)I)OC2=CC(=CC(=C2)C)C)CN3C=CN=C3C#N

DOS

IR

Vibrations