Geometry & MOs

Info

ID:	290528
PubChem CID:	104643471
Reduced:	OS2N3C7H13 (1)
Stoich.:	AB2C3D7E13 (1)
Weight, g/mol:	212.098334
ΔH_f, kcal/mol:	-23.66
Dipole, Da:	2.97
IP(EA), eV:	-8.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3-(2-amino-4-methylphenyl)sulfanylpropan-2-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N)SCC(CN)O

DOS

IR

Vibrations