Geometry & MOs

Info

ID:

325071

PubChem CID:

126680003

Reduced:

ClO3N6H23C24 (1)

Stoich.:

AB3C6D23E24 (1)

Weight, g/mol:

647.321808

ΔHf, kcal/mol:

9.15

Dipole, Da:

4.02

IP(EA), eV:

 -8.9(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-[1-(3-fluorophenyl)ethoxy]pyridin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC(=C(C=C2)COC3=CC(=NC4=NNN=C34)N)Cl)OC5=CC=CC=C5

DOS

IR

Vibrations