Geometry & MOs

Info

ID:	68710
PubChem CID:	46508956
Reduced:	ClN3O4C27H28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	490.086843
ΔH_f, kcal/mol:	-90.54
Dipole, Da:	4.8
IP(EA), eV:	-8.15(-1.07)
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 (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations