Geometry & MOs

Info

ID:

423662

PubChem CID:

135119957

Reduced:

SO6N9C38H47 (1)

Stoich.:

AB6C9D38E47 (1)

Weight, g/mol:

390.161329

ΔHf, kcal/mol:

-161.43

Dipole, Da:

14.81

IP(EA), eV:

 -8.23(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxy-5-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)CC5=CN=CC=C5)C

DOS

IR

Vibrations