Geometry & MOs

Info

ID:	283131
PubChem CID:	103959500
Reduced:	OSN2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	211.103085
ΔH_f, kcal/mol:	34.42
Dipole, Da:	1.56
IP(EA), eV:	-8.92(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(1S)-1-aminopropyl]phenyl]sulfanylethanol

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1SC2=NC3=CC=CC=C3O2)N

DOS

IR

Vibrations