Geometry & MOs

Info

ID:

187095

PubChem CID:

77529990

Reduced:

SCl2N5O6C20H21 (1)

Stoich.:

AB2C5D6E20F21 (1)

Weight, g/mol:

603.11776

ΔHf, kcal/mol:

-137.59

Dipole, Da:

6.15

IP(EA), eV:

 -8.49(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-chloro-5-fluoro-3-(2-oxopiperidin-1-yl)phenyl]sulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1)C(=O)NC2CCN(CC2OC)C3=NC(=C(S3)OC(=O)OC)C4=CC=NO4)Cl)Cl

DOS

IR

Vibrations