Geometry & MOs

Info

ID:	234075
PubChem CID:	92297670
Reduced:	SO4N6C27H28 (1)
Stoich.:	AB4C6D27E28 (1)
Weight, g/mol:	257.072179
ΔH_f, kcal/mol:	-58.91
Dipole, Da:	4.4
IP(EA), eV:	-8.88(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-2-[(1R)-1-phenylsulfanylethyl]propane-1,3-diol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N([C@@H](C2=CC3=C(C=C2)N=CC=C3)C(=O)NCCOC)C(=O)C4=C(C(=NS4)C(=O)N)N)C

DOS

IR

Vibrations