Geometry & MOs

Info

ID:

432103

PubChem CID:

135172235

Reduced:

O2S2F6N7C29H29 (1)

Stoich.:

A2B2C6D7E29F29 (1)

Weight, g/mol:

670.227312

ΔHf, kcal/mol:

-255.91

Dipole, Da:

7.36

IP(EA), eV:

 -9.34(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[3-[[amino-[(Z)-(1-amino-2,2,2-trifluoroethylidene)amino]methylidene]amino]-4-[2-methylpropyl-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]amino]phenyl]benzoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)C2=NC(=NS2)C(F)(F)F)C3=C(C=C(C=C3)C4=CC=CC=C4C(=O)OC)NC5=NC(=NS5)C(F)(F)F

DOS

IR

Vibrations