Geometry & MOs

Info

ID:	222748
PubChem CID:	85332304
Reduced:	N4O5C28H36 (1)
Stoich.:	A4B5C28D36 (1)
Weight, g/mol:	509.17329
ΔH_f, kcal/mol:	-116.51
Dipole, Da:	5.28
IP(EA), eV:	-9.28(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)C4=NN(C5=C(C4=O)C=CC=N5)N)C

DOS

IR

Vibrations