Geometry & MOs

Info

ID:	78024
PubChem CID:	49681563
Reduced:	SN3O5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	442.9706
ΔH_f, kcal/mol:	-163.57
Dipole, Da:	6.37
IP(EA), eV:	-8.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)CN(CC3)C(=O)OCC)OCC

DOS

IR

Vibrations