Geometry & MOs

Info

ID:

434968

PubChem CID:

135176082

Reduced:

SF2N3O7C41H57 (1)

Stoich.:

AB2C3D7E41F57 (1)

Weight, g/mol:

723.201512

ΔHf, kcal/mol:

-422.61

Dipole, Da:

11.04

IP(EA), eV:

 -9.24(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[3-(5-chlorothiophen-2-yl)-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfonylamino]-3,3-difluoropropanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC1CCC(CC1)OC2=CC=C(C=C2)C(C(C(=O)N3C4CCC3CC(C4)NC(=O)OC(C)(C)C)NS(=O)(=O)C5=CC=C(C=C5)OCC6CCCCC6)(F)F

DOS

IR

Vibrations