Geometry & MOs

Info

ID:	78033
PubChem CID:	49681576
Reduced:	SN4O5C17H18 (1)
Stoich.:	AB4C5D17E18 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-92.47
Dipole, Da:	6.34
IP(EA), eV:	-9.46(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(3-methylphenyl)acetyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2=C(C1)SC(=N2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations