Geometry & MOs

Info

ID:

434572

PubChem CID:

135175247

Reduced:

O5N11C40H51 (1)

Stoich.:

A5B11C40D51 (1)

Weight, g/mol:

749.19458

ΔHf, kcal/mol:

-122.25

Dipole, Da:

9.17

IP(EA), eV:

 -8.51(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=CN=C(C=C2N1C(C)C)NC3=NC(=NC=C3)N4CCC(CC4)(CCN5CCN(CC5)C6=CC7=C(C=C6)C(=O)N(C7=O)C(C)CCC(=O)NC=O)OC

DOS

IR

Vibrations