Geometry & MOs

Info

ID:	153295
PubChem CID:	56312474
Reduced:	O2S2F3N4C21H23 (1)
Stoich.:	A2B2C3D4E21F23 (1)
Weight, g/mol:	450.15149
ΔH_f, kcal/mol:	-163.07
Dipole, Da:	8.51
IP(EA), eV:	-8.66(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC2=C(S1)C=C(S2)C(=O)NCC(C3=CC=C(C=C3)C(F)(F)F)N4CCOCC4

DOS

IR

Vibrations