Geometry & MOs

Info

ID:

429186

PubChem CID:

135169033

Reduced:

ClO5N6C31H35 (1)

Stoich.:

AB5C6D31E35 (1)

Weight, g/mol:

514.269239

ΔHf, kcal/mol:

-150.49

Dipole, Da:

6.66

IP(EA), eV:

 -9.22(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations