Geometry & MOs

Info

ID:	444864
PubChem CID:	135263779
Reduced:	NPO4C11H20 (1)
Stoich.:	ABC4D11E20 (1)
Weight, g/mol:	152.01433
ΔH_f, kcal/mol:	-240.43
Dipole, Da:	4.48
IP(EA), eV:	-8.27(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxypropoxymethanethioic S-acid

Drug info:

PubChemData

Smile

CC(C)(C)OP(=O)(O)OCCN1CC=CC=C1

DOS

IR

Vibrations