Geometry & MOs

Info

ID:

189533

PubChem CID:

77868926

Reduced:

F2N3O6C36H41 (1)

Stoich.:

A2B3C6D36E41 (1)

Weight, g/mol:

565.238827

ΔHf, kcal/mol:

-323.76

Dipole, Da:

3.35

IP(EA), eV:

 -8.84(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[3-[(2,6-difluorophenyl)methyl]-5-(4-hydroxyphenyl)-4-methyl-2,6-dioxo-1,3-diazinan-1-yl]-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CC1C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)F)CC(C3=CC=CC=C3)NC(=O)OC(C)(C)C)C4=CC=C(C=C4)OC5CCCCO5

DOS

IR

Vibrations