Geometry & MOs

Info

ID:	315225
PubChem CID:	126625121
Reduced:	NOC16H33 (1)
Stoich.:	ABC16D33 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-97.65
Dipole, Da:	2.16
IP(EA), eV:	-8.54(2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[ethyl(propyl)sulfamoyl]-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3-benzoxazole-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CCC(C)(C)N(C)C)CC1CCOCC1

DOS

IR

Vibrations