Geometry & MOs

Info

ID:

164631

PubChem CID:

74428529

Reduced:

S2F5O10N19C58H74 (1)

Stoich.:

A2B5C10D19E58F74 (1)

Weight, g/mol:

448.211055

ΔHf, kcal/mol:

-568.5

Dipole, Da:

3.53

IP(EA), eV:

 -8.79(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[6-[3-[2-(4-acetyl-3,5-dimethylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]pyridin-2-yl]-N-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CS)C(=O)N)NC(=O)C(CS)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC5=C(C(=C(C(=C5F)F)F)F)F)NC(=O)C

DOS

IR

Vibrations