Geometry & MOs

Info

ID:

299888

PubChem CID:

117844543

Reduced:

SP3N7O17C27H44 (1)

Stoich.:

AB3C7D17E27F44 (1)

Weight, g/mol:

425.158685

ΔHf, kcal/mol:

-896.86

Dipole, Da:

10.68

IP(EA), eV:

 -8.99(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]carbamic acid

Drug info:

PubChemData

Smile

CC/C(=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)/C

DOS

IR

Vibrations