Geometry & MOs

Info

ID:	68154
PubChem CID:	46507847
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	468.115521
ΔH_f, kcal/mol:	-36.87
Dipole, Da:	4.15
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-[(2-fluorophenyl)methyl]-1,1,4-trioxo-3H-1lambda6,2,5-benzothiadiazepin-2-yl]methyl]-4-methoxybenzaldehyde

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C(C2=O)C

DOS

IR

Vibrations