Geometry & MOs

Info

ID:	175802
PubChem CID:	75949695
Reduced:	NSO5C13H14 (1)
Stoich.:	ABC5D13E14 (1)
Weight, g/mol:	319.099063
ΔH_f, kcal/mol:	-131.88
Dipole, Da:	3.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.781779
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-oxo-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-3H-pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC1(C(C1C(=O)[O-])C(=O)NC2=C(SC=C2)C(=O)OC)C

DOS

IR

Vibrations