Geometry & MOs

Info

ID:	69074
PubChem CID:	46517801
Reduced:	S2N4O5C21H26 (1)
Stoich.:	A2B4C5D21E26 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-178.62
Dipole, Da:	6.06
IP(EA), eV:	-8.87(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)N(CC4)S(=O)(=O)C

DOS

IR

Vibrations