Geometry & MOs

Info

ID:

81989

PubChem CID:

49855447

Reduced:

N6O6C35H42 (1)

Stoich.:

A6B6C35D42 (1)

Weight, g/mol:

442.211724

ΔHf, kcal/mol:

-184.18

Dipole, Da:

4.72

IP(EA), eV:

 -8.72(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[5-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,2-benzoxazol-3-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC5=C(C=C4)C(=NO5)NC(=O)[C@@H]6CCCN6C(=O)OC(C)(C)C

DOS

IR

Vibrations