Geometry & MOs

Info

ID:

429204

PubChem CID:

135169051

Reduced:

ClO5N6C42H43 (1)

Stoich.:

AB5C6D42E43 (1)

Weight, g/mol:

520.222289

ΔHf, kcal/mol:

-72.25

Dipole, Da:

2.21

IP(EA), eV:

 -8.46(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-N-benzhydryl-2-N-methyl-4-oxo-2-N-pyridin-4-ylazetidine-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(CC4=CC=C(C=C4)OC)CC5=CC=C(C=C5)OC)C(=O)N(C)C6=CC=NC=C6

DOS

IR

Vibrations