Geometry & MOs

Info

ID:	62767
PubChem CID:	26736671
Reduced:	FOSN3C22H22 (1)
Stoich.:	ABCD3E22F22 (1)
Weight, g/mol:	466.203862
ΔH_f, kcal/mol:	-8.93
Dipole, Da:	3.26
IP(EA), eV:	-8.91(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpiperidin-4-yl)-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CSC(=N2)C3=CC=C(C=C3)F)CC4=CC=CC=C4

DOS

IR

Vibrations