Geometry & MOs

Info

ID:	431693
PubChem CID:	135171789
Reduced:	SO2F3N4C23H33 (1)
Stoich.:	AB2C3D4E23F33 (1)
Weight, g/mol:	334.262028
ΔH_f, kcal/mol:	-222.96
Dipole, Da:	8.65
IP(EA), eV:	-8.85(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[3-amino-4-[bis(2-methylpropyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C)C1=CC(=C(C=C1)N(CC(C)C)CC(C)C)NC2=NC(=NS2)C(F)(F)F

DOS

IR

Vibrations