Geometry & MOs

Info

ID:

415125

PubChem CID:

135088111

Reduced:

O7N8C43H54 (1)

Stoich.:

A7B8C43D54 (1)

Weight, g/mol:

443.076276

ΔHf, kcal/mol:

-242.06

Dipole, Da:

8.44

IP(EA), eV:

 -8.49(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5=CN=CC=C5)C(C)C

DOS

IR

Vibrations