Geometry & MOs

Info

ID:	375689
PubChem CID:	134220815
Reduced:	NO23C28H49 (1)
Stoich.:	AB23C28D49 (1)
Weight, g/mol:	322.98408
ΔH_f, kcal/mol:	-1025.8
Dipole, Da:	7.55
IP(EA), eV:	-9.73(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-aminoethyl)phenyl]ethoxy thiohypoiodite

Drug info:

PubChemData

Smile

CC(C(CO)OC(C(O)O)OC1C(C(OC(C1O)OC2C(OC(C(C2O)O)OCCCCN)CO)C(=O)O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O

DOS

IR

Vibrations