Geometry & MOs

Info

ID:	68674
PubChem CID:	46508878
Reduced:	N3O4C27H29 (1)
Stoich.:	A3B4C27D29 (1)
Weight, g/mol:	490.123229
ΔH_f, kcal/mol:	-97.97
Dipole, Da:	7.89
IP(EA), eV:	-7.82(-0.8)
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 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)O

DOS

IR

Vibrations