Geometry & MOs

Info

ID:	225549
PubChem CID:	85852867
Reduced:	N4O4H10C13 (1)
Stoich.:	A4B4C10D13 (1)
Weight, g/mol:	283.087829
ΔH_f, kcal/mol:	81.41
Dipole, Da:	9.27
IP(EA), eV:	-9.76(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfanylacetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])N=NC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations