Geometry & MOs

Info

ID:	431777
PubChem CID:	135171883
Reduced:	SF3N8C23H31 (1)
Stoich.:	AB3C8D23E31 (1)
Weight, g/mol:	380.247521
ΔH_f, kcal/mol:	-48.49
Dipole, Da:	7.43
IP(EA), eV:	-8.78(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[3-amino-5-fluoro-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

C[C@H](CC1=NNN=N1)C2=CC(=C(C=C2)N(CC(C)C)C3CCCCC3)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations