Geometry & MOs

Info

ID:	222415
PubChem CID:	85300629
Reduced:	ClN2O4C14H25 (1)
Stoich.:	AB2C4D14E25 (1)
Weight, g/mol:	321.121237
ΔH_f, kcal/mol:	-228.11
Dipole, Da:	1.83
IP(EA), eV:	-9.9(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 6-(furan-2-yl)-3,3a,4,6-tetrahydrocyclopenta[c][1,2]oxazole-5,5-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)CCl)NC(=O)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations