Geometry & MOs

Info

ID:

169201

PubChem CID:

75073841

Reduced:

SN4O6C29H34 (1)

Stoich.:

AB4C6D29E34 (1)

Weight, g/mol:

665.216041

ΔHf, kcal/mol:

-183.85

Dipole, Da:

8.47

IP(EA), eV:

 -9.43(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)-4-[2-[6-[4-(trifluoromethyl)phenyl]hexa-1,3,5-trienyl]-1,3-dioxan-5-yl]butan-2-ol;oxalic acid

Drug info:

PubChemData

Smile

CCC1C(C(=O)CO1)NC(=O)C(CC2(CCCC2)C)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4C#N

DOS

IR

Vibrations