Geometry & MOs

Info

ID:

166390

PubChem CID:

74682787

Reduced:

BrClON4F6H16C21 (1)

Stoich.:

ABCD4E6F16G21 (1)

Weight, g/mol:

566.136624

ΔHf, kcal/mol:

-280.1

Dipole, Da:

3.49

IP(EA), eV:

 -9.55(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(N=C2C(C(NN2C1C(F)(F)F)C(=O)NC3=CC=CC=C3C(F)(F)F)Cl)C4=CC=C(C=C4)Br

DOS

IR

Vibrations