Geometry & MOs

Info

ID:

437518

PubChem CID:

135226505

Reduced:

NH41C48 (1)

Stoich.:

AB41C48 (1)

Weight, g/mol:

544.01401

ΔHf, kcal/mol:

148.61

Dipole, Da:

1.07

IP(EA), eV:

 -8.01(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)thieno[3,2-c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=CC(=CC=C1)C2=C(C=CC(=C2)C3=CC=CC=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=CC7=C6C8=CC=CC=C8C7(C)C

DOS

IR

Vibrations