Geometry & MOs

Info

ID:

418530

PubChem CID:

135105541

Reduced:

O5N6C38H44 (1)

Stoich.:

A5B6C38D44 (1)

Weight, g/mol:

389.140927

ΔHf, kcal/mol:

-151.72

Dipole, Da:

5.56

IP(EA), eV:

 -9.68(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-N-methylmethanesulfonamide

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)C4=CC=CC=C4C#N

DOS

IR

Vibrations