Geometry & MOs

Info

ID:

429325

PubChem CID:

135169294

Reduced:

ClFO3N5C27H27 (1)

Stoich.:

ABC3D5E27F27 (1)

Weight, g/mol:

519.203718

ΔHf, kcal/mol:

-101.62

Dipole, Da:

3.19

IP(EA), eV:

 -8.94(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-amino-6-methylpyridin-4-yl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-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)N)C(=O)N(C)C4=CC(=CC=C4)F

DOS

IR

Vibrations