Geometry & MOs

Info

ID:

421536

PubChem CID:

135116175

Reduced:

SO6N8C35H46 (1)

Stoich.:

AB6C8D35E46 (1)

Weight, g/mol:

371.184506

ΔHf, kcal/mol:

-185.07

Dipole, Da:

10.65

IP(EA), eV:

 -8.54(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(2-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5CC5)C

DOS

IR

Vibrations