Geometry & MOs

Info

ID:	68708
PubChem CID:	46508942
Reduced:	OSN3H21C22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	492.102493
ΔH_f, kcal/mol:	53.31
Dipole, Da:	2.2
IP(EA), eV:	-8.46(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)SCC2=C(OC(=N2)C3=CC=CC=C3)C)CC4=CC=CC=C4

DOS

IR

Vibrations