Geometry & MOs

Info

ID:

163352

PubChem CID:

57831059

Reduced:

N8O14C49H84 (1)

Stoich.:

A8B14C49D84 (1)

Weight, g/mol:

468.140709

ΔHf, kcal/mol:

-574.98

Dipole, Da:

9.24

IP(EA), eV:

 -8.52(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclohexyl-4-[5-(2,4-difluorophenyl)-2-(2,2,2-trifluoroethylsulfanyl)-1H-imidazol-4-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CCCN1CCCC2N1C(=O)CN(C(=O)C3CCCN(N3C(=O)C(C(OC(=O)C(N(C(=O)C4C(CCN4C2=O)(C)O)O)C(C)C)C(C)C)NC(=O)C(C)(C5(CCC(C(O5)CC)CC(C)C)O)O)CCC)O

DOS

IR

Vibrations