Geometry & MOs

Info

ID:	283130
PubChem CID:	103959496
Reduced:	OSN2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	284.098334
ΔH_f, kcal/mol:	-13.5
Dipole, Da:	6.57
IP(EA), eV:	-8.52(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-(1,3-benzoxazol-2-ylsulfanyl)phenyl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1SC2=CC=C(C=C2)NC(=O)C)N

DOS

IR

Vibrations