Geometry & MOs

Info

ID:	36278
PubChem CID:	8000461
Reduced:	ClNO2F3H11C15 (1)
Stoich.:	ABC2D3E11F15 (1)
Weight, g/mol:	397.109627
ΔH_f, kcal/mol:	-208.91
Dipole, Da:	6.88
IP(EA), eV:	-9.27(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6S)-4-methyl-6-(2-nitrophenyl)-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)O

DOS

IR

Vibrations