Geometry & MOs

Info

ID:

223846

PubChem CID:

85335651

Reduced:

SCl3O3N6C25H33 (1)

Stoich.:

AB3C3D6E25F33 (1)

Weight, g/mol:

598.182138

ΔHf, kcal/mol:

-72.55

Dipole, Da:

4.16

IP(EA), eV:

 -8.68(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-[N-cyano-N'-(2-methoxyethyl)carbamimidoyl]piperidin-4-yl]-2-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]sulfonylamino]-N-hydroxypropanamide

Drug info:

PubChemData

Smile

CC(C)C1C2C(NC(NC2=O)CC3=CC=C(C=C3)NS(=O)(=O)CCN(C)C)N(N1)C4=C(C=C(C=C4Cl)Cl)Cl

DOS

IR

Vibrations