Geometry & MOs

Info

ID:

429294

PubChem CID:

135169263

Reduced:

ClFO3N5C27H39 (1)

Stoich.:

ABC3D5E27F39 (1)

Weight, g/mol:

539.149095

ΔHf, kcal/mol:

-206.74

Dipole, Da:

3.69

IP(EA), eV:

 -8.88(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C1CCCC(C1)Cl)NC(=O)N2[C@@H](C(C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4CCCC(C4)F

DOS

IR

Vibrations