Geometry & MOs

Info

ID:

429254

PubChem CID:

135169158

Reduced:

ClO3N5C28H30 (1)

Stoich.:

AB3C5D28E30 (1)

Weight, g/mol:

507.178565

ΔHf, kcal/mol:

-63.96

Dipole, Da:

2.92

IP(EA), eV:

 -8.8(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-4-oxo-2-N-pyrimidin-2-ylazetidine-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)C)N)C(=O)N(C)C4=CC=CC=C4

DOS

IR

Vibrations