Geometry & MOs

Info

ID:

184282

PubChem CID:

77139700

Reduced:

Cl2F3O6N7C33H34 (1)

Stoich.:

A2B3C6D7E33F34 (1)

Weight, g/mol:

679.236616

ΔHf, kcal/mol:

-363.28

Dipole, Da:

7.35

IP(EA), eV:

 -8.84(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2-[2-[(4-methyl-2,7-dioxochromen-6-ylidene)methyl]hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=CC(=O)C(=CNNC(=O)CN3CCN(CC3)CC(=O)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F)C=C12.Cl.Cl

DOS

IR

Vibrations