Geometry & MOs

Info

ID:

420840

PubChem CID:

135114912

Reduced:

SO6N8C38H46 (1)

Stoich.:

AB6C8D38E46 (1)

Weight, g/mol:

382.135114

ΔHf, kcal/mol:

-187.22

Dipole, Da:

9.03

IP(EA), eV:

 -9.34(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)CC4=CC5=CC=CC=C5NC4=O)C)C)C(C)C

DOS

IR

Vibrations