Geometry & MOs

Info

ID:

432146

PubChem CID:

135172278

Reduced:

N6O7C29H34 (1)

Stoich.:

A6B7C29D34 (1)

Weight, g/mol:

602.301466

ΔHf, kcal/mol:

-186.64

Dipole, Da:

4.9

IP(EA), eV:

 -9.3(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-aminopentyl)-2-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]benzamide

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)N(C3=CN=C(N=C3)C(=O)O)C4=CN=C(N=C4)C(=O)O

DOS

IR

Vibrations