Geometry & MOs

Info

ID:

189512

PubChem CID:

77867198

Reduced:

BrSF2O4N6C29H35 (1)

Stoich.:

ABC2D4E6F29G35 (1)

Weight, g/mol:

556.149359

ΔHf, kcal/mol:

-175.9

Dipole, Da:

6.93

IP(EA), eV:

 -9.26(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]-3-methoxypyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrazolo[3,4-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COCCN1CC(C(C1)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)C4CCN(CC4)S(=O)(=O)C)Br)C5=CC(=C(C=C5)F)F

DOS

IR

Vibrations