Geometry & MOs

Info

ID:

448424

PubChem CID:

135290797

Reduced:

BrO2N3C12H12 (1)

Stoich.:

AB2C3D12E12 (1)

Weight, g/mol:

763.18538

ΔHf, kcal/mol:

-31.36

Dipole, Da:

6.79

IP(EA), eV:

 -9.39(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=NC=C(N1)C2=CC=C(C=C2)Br)C(=O)O

DOS

IR

Vibrations