Geometry & MOs

Info

ID:	362110
PubChem CID:	127305792
Reduced:	O4N5C20H25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	365.177313
ΔH_f, kcal/mol:	-150.32
Dipole, Da:	2.77
IP(EA), eV:	-9.55(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7a-methyl-3-[3-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=N2)C(=O)N3CCCC(C3)C(=O)N4CCCC4)C(=O)N(C1=O)C

DOS

IR

Vibrations