Geometry & MOs

Info

ID:	429173
PubChem CID:	135169020
Reduced:	NOPC18H22 (1)
Stoich.:	ABCD18E22 (1)
Weight, g/mol:	550.209531
ΔH_f, kcal/mol:	-23.48
Dipole, Da:	1.96
IP(EA), eV:	-8.32(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)P1C2=CC=CC=C2OC3=CC=CC=C31

DOS

IR

Vibrations