Geometry & MOs

Info

ID:

434707

PubChem CID:

135175554

Reduced:

ClF2N3O4H38C39 (1)

Stoich.:

AB2C3D4E38F39 (1)

Weight, g/mol:

721.16328

ΔHf, kcal/mol:

-190.03

Dipole, Da:

6.0

IP(EA), eV:

 -9.0(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)C(=O)C(=O)NC(C(=O)N4C5CCC4CC(C5)N)C(C6=CC=C(C=C6)C7=CC=C(C=C7)Cl)(F)F

DOS

IR

Vibrations