Geometry & MOs

Info

ID:	60831
PubChem CID:	26702524
Reduced:	SN2O5C18H18 (1)
Stoich.:	AB2C5D18E18 (1)
Weight, g/mol:	440.059756
ΔH_f, kcal/mol:	-165.12
Dipole, Da:	5.35
IP(EA), eV:	-9.03(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chlorobenzoyl)phenyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)OC(=O)CC2=CSC(=N2)N3CCCC3=O

DOS

IR

Vibrations