Geometry & MOs

Info

ID:	43375
PubChem CID:	10321194
Reduced:	ON3H25C30 (1)
Stoich.:	AB3C25D30 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	89.87
Dipole, Da:	5.29
IP(EA), eV:	-8.73(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenyl)methyl]-1,1-dioxo-5-(2-piperidin-1-ylethyl)-3H-1lambda6,2,5-benzothiadiazepin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)NC4=CC5=CC=CC=C5N=C4

DOS

IR

Vibrations