Geometry & MOs

Info

ID:

419900

PubChem CID:

135109633

Reduced:

SO4N9C36H41 (1)

Stoich.:

AB4C9D36E41 (1)

Weight, g/mol:

365.210327

ΔHf, kcal/mol:

-29.92

Dipole, Da:

5.71

IP(EA), eV:

 -8.73(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C2=NC(=NN2CC(=O)N1)C)CC3=CC=CC=C3)C(=O)C4=CC5=C(S4)N(N=C5C)C6=CC=CC=C6)C(C)C

DOS

IR

Vibrations