Geometry & MOs

Info

ID:	132314
PubChem CID:	51341846
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	290.150467
ΔH_f, kcal/mol:	-63.0
Dipole, Da:	1.84
IP(EA), eV:	-9.69(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z,3S,4S)-2-hydroxy-4-methyl-3-(phenylmethoxycarbonylamino)hex-1-ene-1-diazonium

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](/C(=C/[N+]#N)/[O-])NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations