Geometry & MOs

Info

ID:	444872
PubChem CID:	135263787
Reduced:	ClN2H15C20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	265.059564
ΔH_f, kcal/mol:	71.8
Dipole, Da:	3.42
IP(EA), eV:	-8.35(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminoethanethiol;1,3-dihydroxypropan-2-yl 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N3C4=C(C=CC=C41)C5=C3N=C(C=C5)Cl)C

DOS

IR

Vibrations