Geometry & MOs

Info

ID:	432056
PubChem CID:	135172188
Reduced:	SF3O4N5C31H44 (1)
Stoich.:	AB3C4D5E31F44 (1)
Weight, g/mol:	459.22887
ΔH_f, kcal/mol:	-304.48
Dipole, Da:	8.13
IP(EA), eV:	-8.93(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[3-[(5-chloro-6-methylpyridin-2-yl)amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CCCCCNC(=O)OC1CCC/C=C/CC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations