Geometry & MOs

Info

ID:	177187
PubChem CID:	76143818
Reduced:	O2N3F4C18H21 (1)
Stoich.:	A2B3C4D18E21 (1)
Weight, g/mol:	547.092196
ΔH_f, kcal/mol:	-255.65
Dipole, Da:	5.01
IP(EA), eV:	-9.04(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[2-fluoro-3-(trifluoromethyl)phenyl]-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1(CCOCC(=N1)N)C2=C(C=CC(=C2)NC(=O)C3(CCC3)C(F)(F)F)F

DOS

IR

Vibrations