Geometry & MOs

Info

ID:

429185

PubChem CID:

135169032

Reduced:

F2O3N5C27H27 (1)

Stoich.:

A2B3C5D27E27 (1)

Weight, g/mol:

606.235746

ΔHf, kcal/mol:

-133.9

Dipole, Da:

5.6

IP(EA), eV:

 -8.91(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[4-[[(2S)-1-[[(1R)-1-(3-chlorophenyl)propyl]carbamoyl]-2-[methyl(pyridin-4-yl)carbamoyl]-4-oxoazetidin-3-yl]methyl]pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

CC[C@H](C1=CC(=C(C=C1)F)F)NC(=O)N2[C@@H](C(C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=CC=C4

DOS

IR

Vibrations