Geometry & MOs

Info

ID:	320996
PubChem CID:	126664373
Reduced:	ClSN4O4C29H47 (1)
Stoich.:	ABC4D4E29F47 (1)
Weight, g/mol:	496.187733
ΔH_f, kcal/mol:	-167.82
Dipole, Da:	4.08
IP(EA), eV:	-8.37(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S,3R)-2-azido-3-(4-chlorophenyl)-3-(4-ethoxycyclohexyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)CC[C@H]2CN[C@@H]3CCCS(N2C3)(O)O)NC(=O)[C@H]([C@H](C4CCOCC4)C5=CC=C(C=C5)Cl)N

DOS

IR

Vibrations