Geometry & MOs

Info

ID:	446953
PubChem CID:	135279070
Reduced:	PSF2O2N4H25C26 (1)
Stoich.:	ABC2D2E4F25G26 (1)
Weight, g/mol:	342.230728
ΔH_f, kcal/mol:	-93.23
Dipole, Da:	2.26
IP(EA), eV:	-8.55(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[3-[3-[(1S,4S)-5-(2-oxopropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]phenyl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CN(C2=N1)PC)C3=C(C=CC(=C3)NS/C(=C(\C)/N)/C(=O)C)OC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations