Geometry & MOs

Info

ID:

340786

PubChem CID:

127263221

Reduced:

N2O6C29H38 (1)

Stoich.:

A2B6C29D38 (1)

Weight, g/mol:

541.245582

ΔHf, kcal/mol:

-265.95

Dipole, Da:

5.51

IP(EA), eV:

 -8.76(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-1-(4-chlorophenyl)-2-[4-[(5R)-5-methyl-7-oxo-5,6-dihydrocyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-N-propan-2-ylcarbamate

Drug info:

PubChemData

Smile

CC(C)N(CCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations