Geometry & MOs

Info

ID:	68752
PubChem CID:	46509030
Reduced:	N2S2O7C21H22 (1)
Stoich.:	A2B2C7D21E22 (1)
Weight, g/mol:	418.075406
ΔH_f, kcal/mol:	-197.73
Dipole, Da:	6.65
IP(EA), eV:	-9.1(-0.91)
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 3-acetamido-3-(4-chlorophenyl)propanoate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC

DOS

IR

Vibrations