Geometry & MOs

Info

ID:

429159

PubChem CID:

135168994

Reduced:

ClO3N5C27H34 (1)

Stoich.:

AB3C5D27E34 (1)

Weight, g/mol:

504.228517

ΔHf, kcal/mol:

-104.47

Dipole, Da:

4.5

IP(EA), eV:

 -8.91(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C1CCCCC1)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations