Geometry & MOs

Info

ID:	39046
PubChem CID:	8138423
Reduced:	ClSO2N3C14H14 (1)
Stoich.:	ABC2D3E14F14 (1)
Weight, g/mol:	423.135173
ΔH_f, kcal/mol:	-25.27
Dipole, Da:	1.32
IP(EA), eV:	-9.14(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclopropyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSCC(=O)NNC(=O)C2=CC=CN2)Cl

DOS

IR

Vibrations