Geometry & MOs

Info

ID:

429224

PubChem CID:

135169128

Reduced:

O3N5C27H29 (1)

Stoich.:

A3B5C27D29 (1)

Weight, g/mol:

472.222289

ΔHf, kcal/mol:

-37.6

Dipole, Da:

6.88

IP(EA), eV:

 -8.98(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-[(1R)-1-pyridin-3-ylpropyl]azetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations