Geometry & MOs

Info

ID:	320969
PubChem CID:	126664312
Reduced:	ClO4N5H24C26 (1)
Stoich.:	AB4C5D24E26 (1)
Weight, g/mol:	468.156433
ΔH_f, kcal/mol:	-29.19
Dipole, Da:	4.31
IP(EA), eV:	-9.19(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-azido-2-[1-(4-chlorophenyl)-4-methoxycyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC(C)OC1=NC=C(C=C1)[C@H](C2=CC=C(C=C2)Cl)[C@@H](C(=O)N3C(COC3=O)C4=CC=CC=C4)N=[N+]=[N-]

DOS

IR

Vibrations