Geometry & MOs

Info

ID:	338271
PubChem CID:	127258963
Reduced:	BrNO3C8H8 (1)
Stoich.:	ABC3D8E8 (1)
Weight, g/mol:	304.076279
ΔH_f, kcal/mol:	-87.06
Dipole, Da:	2.47
IP(EA), eV:	-9.94(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminoethanethiol;(2R,3R)-2,3-dihydroxybutanedioic acid

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1C(=O)OC)Br

DOS

IR

Vibrations