Geometry & MOs

Info

ID:	309411
PubChem CID:	126546074
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	402.197714
ΔH_f, kcal/mol:	-41.68
Dipole, Da:	2.07
IP(EA), eV:	-8.88(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[(3-tert-butylphenyl)sulfamoyl]butan-2-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NC=CC(=C1)NC2CCOCC2

DOS

IR

Vibrations