Geometry & MOs

Info

ID:

418701

PubChem CID:

135106598

Reduced:

O6N7C36H49 (1)

Stoich.:

A6B7C36D49 (1)

Weight, g/mol:

345.151098

ΔHf, kcal/mol:

-255.02

Dipole, Da:

7.63

IP(EA), eV:

 -9.38(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)[C@@H]4CCCN4C(=O)N

DOS

IR

Vibrations