Geometry & MOs

Info

ID:	84175
PubChem CID:	49864741
Reduced:	SN4O4C8H14 (1)
Stoich.:	AB4C4D8E14 (1)
Weight, g/mol:	420.160912
ΔH_f, kcal/mol:	-148.88
Dipole, Da:	4.97
IP(EA), eV:	-9.39(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-2-[(2S,4S)-1-acetyl-4-fluoropyrrolidin-2-yl]-6-[[(4-fluoro-3-methylphenyl)methylamino]-hydroxymethylidene]-3-methylpyrimidine-4,5-dione

Drug info:

PubChemData

Smile

C1=C(NC=N1)C[C@@H](C(=O)NCCS(=O)(=O)O)N

DOS

IR

Vibrations