Geometry & MOs

Info

ID:	429324
PubChem CID:	135169293
Reduced:	FSO2N5H12C13 (1)
Stoich.:	ABC2D5E12F13 (1)
Weight, g/mol:	523.178646
ΔH_f, kcal/mol:	-32.93
Dipole, Da:	3.35
IP(EA), eV:	-8.38(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-(3-fluorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C2=C1N=C(S2)N)F)OCC3=NC(=NC=C3)N

DOS

IR

Vibrations