Geometry & MOs

Info

ID:	64532
PubChem CID:	29202781
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	308.119464
ΔH_f, kcal/mol:	-46.52
Dipole, Da:	1.46
IP(EA), eV:	-8.93(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NCCCOC

DOS

IR

Vibrations