Geometry & MOs

Info

ID:	85731
PubChem CID:	49878565
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	434.121275
ΔH_f, kcal/mol:	18.22
Dipole, Da:	5.9
IP(EA), eV:	-8.95(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylbutanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CCN(CC2)C(=O)C3=NC(=NO3)C4=CN=CC=C4

DOS

IR

Vibrations