Geometry & MOs

Info

ID:	223728
PubChem CID:	85335487
Reduced:	O4N7C27H35 (1)
Stoich.:	A4B7C27D35 (1)
Weight, g/mol:	518.187795
ΔH_f, kcal/mol:	-64.85
Dipole, Da:	5.78
IP(EA), eV:	-8.73(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethylcarbamoyl]cyclobutyl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)NC3CC(NN3)CC(=O)NC4=CC=CC=C4)OCCCN5CCOCC5

DOS

IR

Vibrations