Geometry & MOs

Info

ID:

166391

PubChem CID:

74682788

Reduced:

ClSF3O3N4C26H26 (1)

Stoich.:

ABC3D3E4F26G26 (1)

Weight, g/mol:

566.136624

ΔHf, kcal/mol:

-217.76

Dipole, Da:

3.77

IP(EA), eV:

 -8.57(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[[3-chloro-5-phenyl-7-(trifluoromethyl)-3,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=NN4C(CC(N=C4C3Cl)C5=CC=CC=C5)C(F)(F)F

DOS

IR

Vibrations