Geometry & MOs

Info

ID:

421407

PubChem CID:

135115931

Reduced:

N6O7C38H52 (1)

Stoich.:

A6B7C38D52 (1)

Weight, g/mol:

356.164854

ΔHf, kcal/mol:

-307.73

Dipole, Da:

8.32

IP(EA), eV:

 -9.54(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5-fluoro-1-methylindol-2-yl)-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)NC(=O)CCCC4=CC=CC=C4)O

DOS

IR

Vibrations