Geometry & MOs

Info

ID:

418074

PubChem CID:

135103465

Reduced:

SO6N10C39H52 (1)

Stoich.:

AB6C10D39E52 (1)

Weight, g/mol:

364.182064

ΔHf, kcal/mol:

-127.58

Dipole, Da:

13.79

IP(EA), eV:

 -8.47(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-1-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-4-methylsulfanylbutan-1-one

Drug info:

PubChemData

Smile

CCC1=NC=CN1CCC(=O)N2CCN(C(=O)[C@@H](NC(=O)CN(C(=O)[C@H](NC(=O)C3=CSC(=N3)[C@@H](NC(=O)C2)CC(C)C)CC4=CNC5=CC=CC=C54)C)C)C

DOS

IR

Vibrations