Geometry & MOs

Info

ID:

420050

PubChem CID:

135110895

Reduced:

SN7O7C38H45 (1)

Stoich.:

AB7C7D38E45 (1)

Weight, g/mol:

307.189592

ΔHf, kcal/mol:

-218.69

Dipole, Da:

11.81

IP(EA), eV:

 -9.18(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1-aminocyclopentyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

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)C(=O)C4=CC5=C(C=C4)OC(=C5)C)C)C)C(C)C

DOS

IR

Vibrations