Geometry & MOs

Info

ID:	16130
PubChem CID:	460107
Reduced:	F2O2N6H16C19 (1)
Stoich.:	A2B2C6D16E19 (1)
Weight, g/mol:	398.13028
ΔH_f, kcal/mol:	-51.71
Dipole, Da:	4.19
IP(EA), eV:	-9.95(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]pyrido[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)C=CC=N4

DOS

IR

Vibrations