Geometry & MOs

Info

ID:	337802
PubChem CID:	127258425
Reduced:	SN5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	337.220614
ΔH_f, kcal/mol:	149.84
Dipole, Da:	2.23
IP(EA), eV:	-8.37(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(2-amino-3-methyldodecyl) butanethioate;hydrochloride

Drug info:

PubChemData

Smile

C/C(=N\NC1=CC=CC=C1)/C(=N/NC2=CC=CC=C2)/C(=S)NC3=CC=CC=C3

DOS

IR

Vibrations