Geometry & MOs

Info

ID:

421404

PubChem CID:

135115923

Reduced:

SO6N10C38H50 (1)

Stoich.:

AB6C10D38E50 (1)

Weight, g/mol:

374.166414

ΔHf, kcal/mol:

-52.36

Dipole, Da:

5.96

IP(EA), eV:

 -8.19(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(3,6-dihydro-2H-pyran-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[4,3-b]pyridin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)C(=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)C

DOS

IR

Vibrations