Geometry & MOs

Info

ID:

418403

PubChem CID:

135104555

Reduced:

N5O7C33H43 (1)

Stoich.:

A5B7C33D43 (1)

Weight, g/mol:

392.173607

ΔHf, kcal/mol:

-281.31

Dipole, Da:

8.92

IP(EA), eV:

 -9.02(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-[4-(3-methylphenoxy)phenyl]methanone

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=O)N(CCNC(=O)COC2=CC=C(C[C@@H](C(=O)NCCCC(=O)N1)NC(=O)C3=CC4=C(C=C3)OCC4)C=C2)C

DOS

IR

Vibrations