Geometry & MOs

Info

ID:	431849
PubChem CID:	135171963
Reduced:	SF2N6O6C33H34 (1)
Stoich.:	AB2C6D6E33F34 (1)
Weight, g/mol:	360.277678
ΔH_f, kcal/mol:	-247.88
Dipole, Da:	8.76
IP(EA), eV:	-9.04(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-[3-amino-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pentanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N=S(=O)(C)C1=CC=CC(=C1)C2=C(C(=CC=C2)NC(=O)[C@@H]3C[C@H](CN3C(=O)CN4C5=CC=CC=C5C(=N4)C(=O)N)F)F

DOS

IR

Vibrations