Geometry & MOs

Info

ID:

376830

PubChem CID:

134222857

Reduced:

OF4H13C15 (2)

Stoich.:

AB4C13D15 (2)

Weight, g/mol:

589.180457

ΔHf, kcal/mol:

-407.27

Dipole, Da:

9.96

IP(EA), eV:

 -9.54(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]ethyl]-5-(1H-pyrazol-4-yl)indazole-3-carboxamide

Drug info:

PubChemData

Smile

C=CCCOCC1CCC(CC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)F)F)F)(F)F)F

DOS

IR

Vibrations