Geometry & MOs

Info

ID:

320977

PubChem CID:

126664323

Reduced:

ClFSO4N6C31H40 (1)

Stoich.:

ABCD4E6F31G40 (1)

Weight, g/mol:

539.193547

ΔHf, kcal/mol:

-124.07

Dipole, Da:

9.85

IP(EA), eV:

 -8.48(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[(1S)-1-azido-2-oxo-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]ethyl]-4-(4-chlorophenyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC1=NC=C(C=C1)[C@@H](C2=CC=C(C=C2)Cl)[C@@H](C(=O)NC3=CN=CC(=C3CC[C@H]4CN[C@@H]5CCCS(N4C5)(O)O)F)N

DOS

IR

Vibrations