Geometry & MOs

Info

ID:

429256

PubChem CID:

135169160

Reduced:

ClFO3N5C27H27 (1)

Stoich.:

ABC3D5E27F27 (1)

Weight, g/mol:

519.203718

ΔHf, kcal/mol:

-95.83

Dipole, Da:

5.06

IP(EA), eV:

 -8.99(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations