Geometry & MOs

Info

ID:	363697
PubChem CID:	127313315
Reduced:	O2N6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	6.26
Dipole, Da:	4.63
IP(EA), eV:	-8.73(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-3-oxopropyl]-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(N1C)CCN(C2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations