Geometry & MOs

Info

ID:

432593

PubChem CID:

135172727

Reduced:

N5O9C37H61 (1)

Stoich.:

A5B9C37D61 (1)

Weight, g/mol:

532.279804

ΔHf, kcal/mol:

-422.92

Dipole, Da:

7.64

IP(EA), eV:

 -8.93(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[3-[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]anilino]phenyl]carbamate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2OC)C(=O)O)OC)OC)N(C)C(=O)CNC(=O)[C@H](C(C)C)NC

DOS

IR

Vibrations