Geometry & MOs

Info

ID:	45698
PubChem CID:	10516634
Reduced:	NSO5H7C12 (1)
Stoich.:	ABC5D7E12 (1)
Weight, g/mol:	277.106256
ΔH_f, kcal/mol:	-26.17
Dipole, Da:	4.53
IP(EA), eV:	-9.36(-2.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-azido-3,3-dimethyl-4-oxo-4-phenylmethoxybutanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N+](=O)[O-])S(=O)C2=CC(=O)C=CC2=O

DOS

IR

Vibrations