Geometry & MOs

Info

ID:

429166

PubChem CID:

135169013

Reduced:

O3N7C26H29 (1)

Stoich.:

A3B7C26D29 (1)

Weight, g/mol:

556.204588

ΔHf, kcal/mol:

-27.92

Dipole, Da:

5.49

IP(EA), eV:

 -9.14(-0.74)

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-pyridin-4-yl-1-N-[(1R)-1-[3-(trifluoromethoxy)phenyl]propyl]azetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations