Geometry & MOs

Info

ID:	445939
PubChem CID:	135269979
Reduced:	O2N6C17H18 (1)
Stoich.:	A2B6C17D18 (1)
Weight, g/mol:	516.228517
ΔH_f, kcal/mol:	41.51
Dipole, Da:	5.13
IP(EA), eV:	-9.17(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-amino-6-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]-4-fluoro-2-methylbutan-1-one

Drug info:

PubChemData

Smile

CC1=NC=C(N=C1C2=NN=C(O2)NC)C3=CC=C(C=C3)C(=O)N(C)C

DOS

IR

Vibrations