Geometry & MOs

Info

ID:	429236
PubChem CID:	135169140
Reduced:	BrN2O3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	556.204588
ΔH_f, kcal/mol:	-105.35
Dipole, Da:	2.01
IP(EA), eV:	-8.78(-0.75)
Spin(S_z, 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-[4-(trifluoromethoxy)phenyl]propyl]azetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)N(CC2=CC=C(C=C2)OC)C(=O)OC(C)(C)C)CBr

DOS

IR

Vibrations