Geometry & MOs

Info

ID:	210010
PubChem CID:	80750618
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	236.046693
ΔH_f, kcal/mol:	17.84
Dipole, Da:	4.46
IP(EA), eV:	-8.3(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(1-cyanopropylsulfonylamino)-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC2=CC=CC(=C2[N+](=O)[O-])NCC

DOS

IR

Vibrations