Geometry & MOs

Info

ID:	420928
PubChem CID:	135115052
Reduced:	SO4N5C29H41 (1)
Stoich.:	AB4C5D29E41 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	-152.76
Dipole, Da:	5.89
IP(EA), eV:	-8.86(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrazin-2-yl-(4-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC3=CSC=C3)C(C)C

DOS

IR

Vibrations