Geometry & MOs

Info

ID:	312067
PubChem CID:	126602341
Reduced:	O2F3N4H23C27 (1)
Stoich.:	A2B3C4D23E27 (1)
Weight, g/mol:	552.16722
ΔH_f, kcal/mol:	-117.88
Dipole, Da:	5.43
IP(EA), eV:	-9.66(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-fluorophenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

C1CN(CCC1(F)F)C(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4=NN=C(O4)CN)C5=CC=C(C=C5)F

DOS

IR

Vibrations