Geometry & MOs

Info

ID:	168591
PubChem CID:	74991768
Reduced:	O5N7C32H45 (1)
Stoich.:	A5B7C32D45 (1)
Weight, g/mol:	593.067793
ΔH_f, kcal/mol:	-205.68
Dipole, Da:	2.64
IP(EA), eV:	-8.57(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,5-dichlorophenyl)sulfonylazetidine-2-carbonyl]oxy-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1CCCC(N1C(=O)NC(CC(C)C)C(=O)NC(CC2=C(NC3=CC=CC=C32)C)C(=O)NC(CC4=CN=CN4)C(=O)O)C

DOS

IR

Vibrations