Geometry & MOs

Info

ID:	65025
PubChem CID:	29204349
Reduced:	Cl3N3O3C14H18 (1)
Stoich.:	A3B3C3D14E18 (1)
Weight, g/mol:	480.019259
ΔH_f, kcal/mol:	-145.42
Dipole, Da:	4.32
IP(EA), eV:	-9.43(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC(=O)NNC1=C(C=C(C=C1Cl)Cl)Cl

DOS

IR

Vibrations