Geometry & MOs

Info

ID:	156836
PubChem CID:	56394632
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	433.167142
ΔH_f, kcal/mol:	-143.04
Dipole, Da:	4.93
IP(EA), eV:	-9.16(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[methyl-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]acetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)CN(C)C(=O)CSCC2=CC=C(C=C2)C#N

DOS

IR

Vibrations