Geometry & MOs

Info

ID:

429228

PubChem CID:

135169132

Reduced:

O5N6C42H50 (1)

Stoich.:

A5B6C42D50 (1)

Weight, g/mol:

483.22704

ΔHf, kcal/mol:

-114.16

Dipole, Da:

8.3

IP(EA), eV:

 -8.68(-0.36)

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-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-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(CC4=CC=C(C=C4)OC)CC5=CC=C(C=C5)OC)C(=O)N(C)C6=CC=NC=C6

DOS

IR

Vibrations