Geometry & MOs

Info

ID:	290539
PubChem CID:	104643524
Reduced:	NSO2C6H15 (1)
Stoich.:	ABC2D6E15 (1)
Weight, g/mol:	199.0667
ΔH_f, kcal/mol:	-109.42
Dipole, Da:	4.35
IP(EA), eV:	-9.01(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-amino-2-hydroxypropyl)sulfanylphenol

Drug info:

PubChemData

Smile

CC(CO)SCC(CN)O

DOS

IR

Vibrations