Geometry & MOs

Info

ID:	429220
PubChem CID:	135169124
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	506.183316
ΔH_f, kcal/mol:	-104.67
Dipole, Da:	3.97
IP(EA), eV:	-8.81(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1R)-1-(4-chlorophenyl)propyl]-2-N-methyl-4-oxo-2-N-pyridin-4-ylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=NC=C1)N(CC2=CC=C(C=C2)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations