Geometry & MOs

Info

ID:

415091

PubChem CID:

135088077

Reduced:

N5O7C32H49 (1)

Stoich.:

A5B7C32D49 (1)

Weight, g/mol:

357.205242

ΔHf, kcal/mol:

-338.07

Dipole, Da:

9.53

IP(EA), eV:

 -9.23(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)CCCNC(=O)[C@@H](NC(=O)C1)CC3=CC=C(C=C3)O)NC(=O)CCOC)C(C)C

DOS

IR

Vibrations