Geometry & MOs

Info

ID:	444852
PubChem CID:	135263751
Reduced:	ClSO3N4C23H33 (1)
Stoich.:	ABC3D4E23F33 (1)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	-146.59
Dipole, Da:	3.19
IP(EA), eV:	-9.37(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]pentan-1-amine

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)C(C)NC(=O)[C@H]3C[C@H](CN3C(=O)C(C(C)(C)C)N)O.Cl

DOS

IR

Vibrations