Geometry & MOs

Info

ID:

321382

PubChem CID:

126665931

Reduced:

SO2F4N7C35H35 (1)

Stoich.:

AB2C4D7E35F35 (1)

Weight, g/mol:

589.221321

ΔHf, kcal/mol:

-120.31

Dipole, Da:

8.27

IP(EA), eV:

 -8.48(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[1-amino-1-(4-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(3-carbamimidoylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)NC(CCC1CC1)(C2=CC=NC=C2)C3=CC(=C(C=C3)F)NC(=O)C4=NN(C(=C4)C(F)(F)F)C5=CC6=C(C=C5)C=CN=C6N

DOS

IR

Vibrations