Geometry & MOs

Info

ID:	68518
PubChem CID:	46508571
Reduced:	F2N3O3C25H25 (1)
Stoich.:	A2B3C3D25E25 (1)
Weight, g/mol:	445.182398
ΔH_f, kcal/mol:	-161.49
Dipole, Da:	5.06
IP(EA), eV:	-8.85(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)N(C)CC(=O)NC3=CC=CC=C3OC(F)F

DOS

IR

Vibrations