Geometry & MOs

Info

ID:	290537
PubChem CID:	104643521
Reduced:	SN2O2C10H16 (1)
Stoich.:	AB2C2D10E16 (1)
Weight, g/mol:	275.9932
ΔH_f, kcal/mol:	-73.81
Dipole, Da:	3.42
IP(EA), eV:	-8.27(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)N)SCC(CN)O

DOS

IR

Vibrations