Geometry & MOs

Info

ID:

49887

PubChem CID:

11534128

Reduced:

ClFO2S2N6C24H32 (1)

Stoich.:

ABC2D2E6F24G32 (1)

Weight, g/mol:

555.217876

ΔHf, kcal/mol:

329.79

Dipole, Da:

9.32

IP(EA), eV:

 -7.95(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-4-fluoro-N-[(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=S)C(=O)NC4=CC=C(C=C4)F)N(C)C.Cl

DOS

IR

Vibrations