Geometry & MOs

Info

ID:	429223
PubChem CID:	135169127
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	471.22704
ΔH_f, kcal/mol:	-61.22
Dipole, Da:	4.99
IP(EA), eV:	-9.54(-0.48)
Spin(S_z, 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-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)NC(=O)N2C(CC2=O)C(=O)N(C)C3=CC=NC=C3

DOS

IR

Vibrations