Geometry & MOs

Info

ID:	46280
PubChem CID:	10523690
Reduced:	N2O5H18C21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	378.179087
ΔH_f, kcal/mol:	-87.73
Dipole, Da:	5.97
IP(EA), eV:	-9.3(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (7S,8S)-7-nitro-8-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]nonanoate

Drug info:

PubChemData

Smile

COC(=O)C1=C2C(CC(=C=C)O2)(CC3=NC4=CC=CC=C4N=C3C1)C(=O)OC

DOS

IR

Vibrations