Geometry & MOs

Info

ID:

434562

PubChem CID:

135175215

Reduced:

BrSF2O3N5C29H34 (1)

Stoich.:

ABC2D3E5F29G34 (1)

Weight, g/mol:

749.271306

ΔHf, kcal/mol:

-151.28

Dipole, Da:

9.26

IP(EA), eV:

 -9.27(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[3-(4-chloro-3-propan-2-yloxyphenyl)-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfonylamino]-3,3-difluoropropanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(C1)CN2C=C3C=C(C=CC3=N2)S(=O)(=O)N[C@H](C(=O)N4C5CCC4CC(C5)N)C(C6=CC=C(C=C6)Br)(F)F

DOS

IR

Vibrations