Geometry & MOs

Info

ID:

185008

PubChem CID:

77239728

Reduced:

SF2N5O5C24H27 (1)

Stoich.:

AB2C5D5E24F27 (1)

Weight, g/mol:

660.301779

ΔHf, kcal/mol:

-224.92

Dipole, Da:

5.05

IP(EA), eV:

 -9.07(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-2,3,3a,4,6,7a-hexahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2C1NNC2NC(=O)C3=CC=CC=C3NC(=O)C4CCOC4)S(=O)(=O)C5=CC(=CC(=C5)F)F

DOS

IR

Vibrations