Geometry & MOs

Info

ID:

320540

PubChem CID:

126661708

Reduced:

FN4O4C15H17 (1)

Stoich.:

AB4C4D15E17 (1)

Weight, g/mol:

1001.335973

ΔHf, kcal/mol:

-87.62

Dipole, Da:

4.36

IP(EA), eV:

-9.25(-1.24)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[(Z)-1-amino-3-[4-[[4-[3-[[2-[(Z)-1-amino-3-[4-(dimethylsulfamoyl)phenyl]iminoprop-1-enyl]-1,3-thiazole-4-carbonyl]amino]pyridin-4-yl]piperazin-2-yl]methoxy]phenyl]iminoprop-1-enyl]-N-(4-piperazin-1-ylpyridin-3-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C=CC1=CC(=C(C=C1F)[N+](=O)[O-])N2CCN(CC2)C(=O)CNC=O

DOS

IR

Vibrations