Geometry & MOs

Info

ID:

186938

PubChem CID:

77507124

Reduced:

Cl3N3O6C40H48 (1)

Stoich.:

A3B3C6D40E48 (1)

Weight, g/mol:

590.178847

ΔHf, kcal/mol:

-247.41

Dipole, Da:

6.37

IP(EA), eV:

 -8.88(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[4-fluoro-3-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazine-1-carbonyl]phenyl]methyl]-5-methyl-4-methylidenepyridazin-3-one;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)C3CCN(CC3C(=O)N(CC4=C(C=CC(=C4)CCNC(=O)C)Cl)C5CC5)C(=O)OC(C)(C)C)Cl

DOS

IR

Vibrations