Geometry & MOs

Info

ID:	149140
PubChem CID:	53788812
Reduced:	N5O8C37H47 (1)
Stoich.:	A5B8C37D47 (1)
Weight, g/mol:	342.991736
ΔH_f, kcal/mol:	-294.74
Dipole, Da:	13.31
IP(EA), eV:	-8.49(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-chloro-1-methylsulfonyl-2-oxoethyl)-1,2-oxazol-3-yl] benzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)NCC3CCCN(C3)C(=O)N(CCC4=CC(=C(C=C4)OC)OC)CCC(=O)O)OC

DOS

IR

Vibrations