Geometry & MOs

Info

ID:

427111

PubChem CID:

135155546

Reduced:

ClSF2N3O5H35C36 (1)

Stoich.:

ABC2D3E5F35G36 (1)

Weight, g/mol:

695.203227

ΔHf, kcal/mol:

-232.42

Dipole, Da:

9.83

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.051776

Charge, e:

 0

Chem-info

IUPAC name:

4-carbamoyl-1-[3-[4-(4-chlorophenyl)phenyl]-2-[(6-cyclopentyloxynaphthalen-2-yl)-sulfinoamino]-3,3-difluoropropanoyl]piperidine

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)N(C(C(=O)N4CCC(CC4)C(=O)N)C(C5=CC=C(C=C5)C6=CC=C(C=C6)Cl)(F)F)S(=O)[O-]

DOS

IR

Vibrations