Geometry & MOs

Info

ID:

168844

PubChem CID:

75026750

Reduced:

SN7O8C33H47 (1)

Stoich.:

AB7C8D33E47 (1)

Weight, g/mol:

484.192212

ΔHf, kcal/mol:

-332.83

Dipole, Da:

7.15

IP(EA), eV:

 -8.43(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-fluoro-2-[2-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]anilino]-4-(methylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CCSC)C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)C2CCCN2C(=O)C(C(CC3=CC=CC=C3)NC(=O)C)O

DOS

IR

Vibrations