Geometry & MOs

Info

ID:

434718

PubChem CID:

135175577

Reduced:

ClSF2N3O4C36H36 (1)

Stoich.:

ABC2D3E4F36G36 (1)

Weight, g/mol:

505.236383

ΔHf, kcal/mol:

-172.46

Dipole, Da:

6.61

IP(EA), eV:

 -8.98(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[(2S)-3,3-difluoro-2-(methylamino)-3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]propanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@@H](C(=O)N4CCNC5(C4)CC5)C(C6=CC=C(C=C6)C7=CC=C(C=C7)Cl)(F)F

DOS

IR

Vibrations