Geometry & MOs

Info

ID:	155431
PubChem CID:	56364587
Reduced:	FN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	466.203862
ΔH_f, kcal/mol:	-147.05
Dipole, Da:	3.88
IP(EA), eV:	-8.15(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=C(C=C(C=C3)OC)F

DOS

IR

Vibrations