Geometry & MOs

Info

ID:	360842
PubChem CID:	127301496
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	287.093977
ΔH_f, kcal/mol:	-79.77
Dipole, Da:	3.94
IP(EA), eV:	-9.3(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methyl-1,2-oxazol-5-yl)-N-(2-oxoazepan-3-yl)methanesulfonamide

Drug info:

PubChemData

Smile

C1CCNC(=O)C(C1)NS(=O)(=O)CC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations