Geometry & MOs

Info

ID:

233477

PubChem CID:

90944789

Reduced:

OC16H32 (2)

Stoich.:

AB16C32 (2)

Weight, g/mol:

1421.413086

ΔHf, kcal/mol:

-226.2

Dipole, Da:

1.66

IP(EA), eV:

-9.18(1.42)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-(4-acetamido-2-fluoro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;4-amino-N-[2-hydroxy-4-[[2-(3-methylphenyl)sulfonylacetyl]amino]phenyl]benzamide;N-[2-hydroxy-5-(4-methoxyphenoxy)-4-[2-(4-methylphenyl)sulfonylpropanoylamino]phenyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CCCCCCC=C(CCCCCCCCCCCCCCCCO)CCCCCCCCO

DOS

IR

Vibrations