Geometry & MOs

Info

ID:

434919

PubChem CID:

135176004

Reduced:

BrSF2N3O6C33H44 (1)

Stoich.:

ABC2D3E6F33G44 (1)

Weight, g/mol:

749.19458

ΔHf, kcal/mol:

-358.04

Dipole, Da:

6.99

IP(EA), eV:

 -9.45(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[3-(4-bromophenyl)-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfonyl-methylamino]-3,3-difluoropropanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)S(=O)(=O)NC(C(=O)N2C3CCC2CC(C3)NC(=O)OC(C)(C)C)C(C4=CC=C(C=C4)Br)(F)F

DOS

IR

Vibrations