Geometry & MOs

Info

ID:	218263
PubChem CID:	85089103
Reduced:	S2N3O4C21H21 (1)
Stoich.:	A2B3C4D21E21 (1)
Weight, g/mol:	443.176644
ΔH_f, kcal/mol:	-75.74
Dipole, Da:	9.41
IP(EA), eV:	-8.45(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-ethoxy-3-[4-[3-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)propoxy]phenyl]propanoate

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1SCC3=CSC4=NC5=C(N34)C=CC(=C5)C)C(=O)O)C(C)O

DOS

IR

Vibrations