Geometry & MOs

Info

ID:	62822
PubChem CID:	26737021
Reduced:	SN2O9C22H24 (1)
Stoich.:	AB2C9D22E24 (1)
Weight, g/mol:	381.135842
ΔH_f, kcal/mol:	-313.41
Dipole, Da:	8.62
IP(EA), eV:	-9.4(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-propylpropanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

DOS

IR

Vibrations