Geometry & MOs

Info

ID:

427043

PubChem CID:

135155192

Reduced:

ON2C9H10 (3)

Stoich.:

AB2C9D10 (3)

Weight, g/mol:

741.250713

ΔHf, kcal/mol:

-40.4

Dipole, Da:

8.56

IP(EA), eV:

 -8.27(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-(4-aminopiperidin-1-yl)-1,1-difluoro-3-oxo-1-(3-phenoxyphenyl)propan-2-yl]-4-(cyclohexylmethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=O)N1C2=NC(=NC=C2)NCCC3=CC=C(C=C3)NC4=CC(=CC=C4)NC(=O)C=C

DOS

IR

Vibrations