Geometry & MOs

Info

ID:

429248

PubChem CID:

135169152

Reduced:

BrO3N6C26H27 (1)

Stoich.:

AB3C6D26E27 (1)

Weight, g/mol:

492.284889

ΔHf, kcal/mol:

-48.58

Dipole, Da:

4.14

IP(EA), eV:

 -9.02(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-3-[(2-aminopyridin-4-yl)methyl]-2-N-cyclohexyl-2-N-methyl-1-N-[(1R)-1-(6-methylpyridin-3-yl)propyl]-4-oxoazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations