Geometry & MOs

Info

ID:

161925

PubChem CID:

57393082

Reduced:

FSCl2N2O3H23C25 (1)

Stoich.:

ABC2D2E3F23G25 (1)

Weight, g/mol:

570.266462

ΔHf, kcal/mol:

-120.35

Dipole, Da:

3.3

IP(EA), eV:

 -9.15(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-thiophen-3-ylcyclohexyl]methanone

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)NS(=O)(=O)C)F)C(=O)NCC=C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations