Geometry & MOs

Info

ID:	60830
PubChem CID:	26702523
Reduced:	S2N3O5C24H25 (1)
Stoich.:	A2B3C5D24E25 (1)
Weight, g/mol:	374.093643
ΔH_f, kcal/mol:	-137.55
Dipole, Da:	5.11
IP(EA), eV:	-8.81(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]oxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CC3=CSC(=N3)N4CCCC4=O)C

DOS

IR

Vibrations