Geometry & MOs

Info

ID:

49696

PubChem CID:

11533583

Reduced:

F2O2N5H23C29 (1)

Stoich.:

A2B2C5D23E29 (1)

Weight, g/mol:

511.264648

ΔHf, kcal/mol:

-26.66

Dipole, Da:

4.19

IP(EA), eV:

 -9.47(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[5-(3-tert-butylphenyl)-6,7-dihydro-4H-2,1-benzoxazol-5-yl]amino]-2-[(3,5-difluorophenyl)methyl]-3-hydroxy-N-methylbutanamide

Drug info:

PubChemData

Smile

CN1C2=C(N=C(C(=C2C3=CC=C(C=C3)F)C4=CC=NC=C4)C5=CC=C(C=C5)F)N=C1C(=O)N6CCOCC6

DOS

IR

Vibrations