Geometry & MOs

Info

ID:

435553

PubChem CID:

135191791

Reduced:

SCl2F2O2N3H9C14 (1)

Stoich.:

AB2C2D2E3F9G14 (1)

Weight, g/mol:

607.264213

ΔHf, kcal/mol:

-117.74

Dipole, Da:

5.35

IP(EA), eV:

 -9.07(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[benzoyl(methyl)amino]methyl]-6-[3-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrimidin-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)NC=C2S(=O)(=O)NC3=NC(=C(C=C3F)Cl)CF

DOS

IR

Vibrations