Geometry & MOs

Info

ID:	65026
PubChem CID:	29204351
Reduced:	SCl3N4O4C17H19 (1)
Stoich.:	AB3C4D4E17F19 (1)
Weight, g/mol:	480.019259
ΔH_f, kcal/mol:	-160.96
Dipole, Da:	4.97
IP(EA), eV:	-9.49(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-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

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)CSCC(=O)NNC2=C(C=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations