Geometry & MOs

Info

ID:

448426

PubChem CID:

135290800

Reduced:

FNOH6C7 (2)

Stoich.:

ABCD6E7 (2)

Weight, g/mol:

763.18538

ΔHf, kcal/mol:

-99.21

Dipole, Da:

7.5

IP(EA), eV:

 -9.57(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[4-[1-(difluoromethyl)imidazol-4-yl]-2,6-difluorophenyl]methyl-[2-hydroxy-4-(4-iodophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]carbamate

Drug info:

PubChemData

Smile

C1COC[C@@H]1N2C=CC(=N2)C3=CC(=C(C(=C3)F)C=O)F

DOS

IR

Vibrations