Geometry & MOs

Info

ID:	149478
PubChem CID:	53789151
Reduced:	SN2O4H14C18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	321.067094
ΔH_f, kcal/mol:	-77.71
Dipole, Da:	2.76
IP(EA), eV:	-10.08(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1,2-oxazol-4-yl)-(5-methoxy-2-methylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)C(=O)O)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations