Geometry & MOs

Info

ID:

429192

PubChem CID:

135169039

Reduced:

O3N5C28H37 (1)

Stoich.:

A3B5C28D37 (1)

Weight, g/mol:

555.209339

ΔHf, kcal/mol:

-96.44

Dipole, Da:

4.67

IP(EA), eV:

 -8.77(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations