Geometry & MOs

Info

ID:	122652
PubChem CID:	50816199
Reduced:	SN2O3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	431.151492
ΔH_f, kcal/mol:	-81.72
Dipole, Da:	7.24
IP(EA), eV:	-9.37(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-butyl-1,1,4-trioxo-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-(3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)CN(S(=O)(=O)C2=CC=CC=C21)CC3=CC=CC(=C3)C

DOS

IR

Vibrations