Geometry & MOs

Info

ID:	429210
PubChem CID:	135169060
Reduced:	O3N5C26H33 (1)
Stoich.:	A3B5C26D33 (1)
Weight, g/mol:	457.21139
ΔH_f, kcal/mol:	-80.4
Dipole, Da:	5.72
IP(EA), eV:	-9.53(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-N-methyl-4-oxo-2-N-phenyl-3-(pyridin-4-ylmethyl)-1-N-[(1R)-1-pyridin-3-ylpropyl]azetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations