Geometry & MOs

Info

ID:	156724
PubChem CID:	56371915
Reduced:	OF2N5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	445.112999
ΔH_f, kcal/mol:	-69.63
Dipole, Da:	7.48
IP(EA), eV:	-8.74(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(thiomorpholin-4-ylmethyl)phenyl]-2-(2,2,4-trioxo-1H-2lambda6,3-benzothiazin-3-yl)acetamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1C3CCCN3C(=O)NC4=CC(=C(C(=C4)F)N(C)C)F

DOS

IR

Vibrations