Geometry & MOs

Info

ID:	290534
PubChem CID:	104643506
Reduced:	ClOSN2C9H13 (1)
Stoich.:	ABCD2E9F13 (1)
Weight, g/mol:	212.098334
ΔH_f, kcal/mol:	-35.38
Dipole, Da:	2.11
IP(EA), eV:	-8.67(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)SCC(CN)O)Cl

DOS

IR

Vibrations