Geometry & MOs

Info

ID:

190630

PubChem CID:

78033865

Reduced:

FSO3N5H16C17 (1)

Stoich.:

ABC3D5E16F17 (1)

Weight, g/mol:

727.343727

ΔHf, kcal/mol:

-70.48

Dipole, Da:

6.96

IP(EA), eV:

 -9.67(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(azetidin-1-ylsulfonyl)-3-cyclohexyl-2-(4-methoxy-2-methylphenyl)-1-[2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)sulfonylpropyl]indole-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)C2=CC3=NC(=NC(=O)C3S2)C4C5CC(N4C(=O)O)CC5F

DOS

IR

Vibrations