Geometry & MOs

Info

ID:

320541

PubChem CID:

126661711

Reduced:

S3O5N15C47H51 (1)

Stoich.:

A3B5C15D47E51 (1)

Weight, g/mol:

393.171577

ΔHf, kcal/mol:

85.88

Dipole, Da:

3.99

IP(EA), eV:

 -8.55(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-N-butyl-3-[5-fluoro-2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)N=C/C=C(/C2=NC(=CS2)C(=O)NC3=C(C=CN=C3)N4CCNC(C4)COC5=CC=C(C=C5)N=C/C=C(/C6=NC(=CS6)C(=O)NC7=C(C=CN=C7)N8CCNCC8)\N)\N

DOS

IR

Vibrations