Geometry & MOs

Info

ID:

80703

PubChem CID:

49835956

Reduced:

PN6O10C30H47 (1)

Stoich.:

AB6C10D30E47 (1)

Weight, g/mol:

405.133397

ΔHf, kcal/mol:

-537.85

Dipole, Da:

9.27

IP(EA), eV:

 -9.65(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-2-[4-[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propyl]propane-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCCCCCC(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OP(=O)(O)O)C(C)C)CC(=O)N

DOS

IR

Vibrations