Geometry & MOs

Info

ID:

80335

PubChem CID:

49834076

Reduced:

F3O5N6C45H49 (1)

Stoich.:

A3B5C6D45E49 (1)

Weight, g/mol:

481.11733

ΔHf, kcal/mol:

-300.49

Dipole, Da:

16.89

IP(EA), eV:

 -8.09(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[5-(1,1-difluoroethyl)furan-2-yl]methyl]triazol-4-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=CC3=[N+](CCCC3=CC2=CC4=C1C=C(C=C4)N(C)C)CCCC(=O)NCCCNCC(=O)NC5=CC6=C(C=C5)NC(=O)C7=CC=CC=C76)C.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations