Geometry & MOs

Info

ID:	302342
PubChem CID:	124361340
Reduced:	N2O6H16C17 (1)
Stoich.:	A2B6C16D17 (1)
Weight, g/mol:	467.194402
ΔH_f, kcal/mol:	-133.56
Dipole, Da:	6.19
IP(EA), eV:	-10.15(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-3-phenoxychromen-7-yl) (2S,3S)-2-(2,2-dimethylpropanoyloxyamino)-3-methylpentanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]([C@H](C(=O)O)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations