Geometry & MOs

Info

ID:	78032
PubChem CID:	49681575
Reduced:	SN3O4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	390.099791
ΔH_f, kcal/mol:	-129.7
Dipole, Da:	6.11
IP(EA), eV:	-8.87(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(4-nitrophenyl)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)COC3=CC=C(C=C3)C

DOS

IR

Vibrations