Geometry & MOs

Info

ID:	65068
PubChem CID:	29204424
Reduced:	ISN3O4C17H20 (1)
Stoich.:	ABC3D4E17F20 (1)
Weight, g/mol:	489.02192
ΔH_f, kcal/mol:	-140.99
Dipole, Da:	6.59
IP(EA), eV:	-9.0(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)CSCC(=O)NC2=CC=C(C=C2)I

DOS

IR

Vibrations