Geometry & MOs

Info

ID:	418654
PubChem CID:	135106505
Reduced:	N5O6C34H47 (1)
Stoich.:	A5B6C34D47 (1)
Weight, g/mol:	357.151098
ΔH_f, kcal/mol:	-227.16
Dipole, Da:	9.06
IP(EA), eV:	-8.86(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OCC(=O)N4CCCC4

DOS

IR

Vibrations