Geometry & MOs

Info

ID:

184283

PubChem CID:

77139701

Reduced:

F3O6N7H32C33 (1)

Stoich.:

A3B6C7D32E33 (1)

Weight, g/mol:

785.150999

ΔHf, kcal/mol:

-289.78

Dipole, Da:

14.97

IP(EA), eV:

 -8.48(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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

DOS

IR

Vibrations