Geometry & MOs

Info

ID:

224107

PubChem CID:

85338262

Reduced:

ClSN4O4C32H43 (1)

Stoich.:

ABC4D4E32F43 (1)

Weight, g/mol:

620.19164

ΔHf, kcal/mol:

-150.98

Dipole, Da:

5.51

IP(EA), eV:

 -9.31(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]pentan-2-yl]-5-[4-(trifluoromethyl)phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=C(S(=O)(=O)NC12CCCCC2)C3=CC=C(C=C3)Cl)C(=O)C(CCCC4=CC=CC=C4)NC(=O)C(C)(C)N

DOS

IR

Vibrations