Geometry & MOs

Info

ID:	382646
PubChem CID:	134973922
Reduced:	N2S2O3C14H14 (1)
Stoich.:	A2B2C3D14E14 (1)
Weight, g/mol:	440.119464
ΔH_f, kcal/mol:	-68.73
Dipole, Da:	1.85
IP(EA), eV:	-8.15(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-6-(methylamino)-5-oxo-8-pyren-1-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CNC1=CC(=C2N(C1=O)[C@@H](CS2)C(=O)OC)C3=CC=CS3

DOS

IR

Vibrations