Geometry & MOs

Info

ID:

434553

PubChem CID:

135175185

Reduced:

BrSF2N2O4C30H33 (1)

Stoich.:

ABC2D2E4F30G33 (1)

Weight, g/mol:

1119.37649

ΔHf, kcal/mol:

-212.95

Dipole, Da:

6.19

IP(EA), eV:

 -9.03(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[3-[3-[4-[2-fluoro-4-[[1-[[4-fluoro-2-[2-[3-[3-(3-iodopropoxy)propoxy]propanoyloxy]-2-methylpropyl]phenyl]carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropoxy]propoxy]propanoate

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)NC(C(=O)C3C4CCC3CC(C4)N)C(C5=CC=C(C=C5)Br)(F)F

DOS

IR

Vibrations