Geometry & MOs

Info

ID:	65067
PubChem CID:	29204423
Reduced:	ClISN2O4H14C15 (1)
Stoich.:	ABCD2E4F14G15 (1)
Weight, g/mol:	489.02192
ΔH_f, kcal/mol:	-71.27
Dipole, Da:	5.3
IP(EA), eV:	-9.05(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-6-[[2-(4-iodoanilino)-2-oxoethyl]sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CN(OC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)NC2=CC=C(C=C2)I

DOS

IR

Vibrations