Geometry & MOs

Info

ID:	39268
PubChem CID:	8140019
Reduced:	Cl2O2N3C19H22 (1)
Stoich.:	A2B2C3D19E22 (1)
Weight, g/mol:	423.171559
ΔH_f, kcal/mol:	-36.56
Dipole, Da:	3.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.997341
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclopentyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations