Geometry & MOs

Info

ID:

441322

PubChem CID:

135234120

Reduced:

SO2N4C13H14 (2)

Stoich.:

AB2C4D13E14 (2)

Weight, g/mol:

445.287532

ΔHf, kcal/mol:

-19.99

Dipole, Da:

4.13

IP(EA), eV:

 -9.11(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(3S)-3-methylcyclohexyl]methylsulfanyl-[methyl-(methylideneamino)amino]methyl]-2-[3-(4-methylpiperazin-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CN=C(C=C1)CC(=O)NC2=NN=C(S2)[C@H]3CCC[C@@H](C3)C4=NN=C(S4)NC(=O)CC5=NC=C(C=C5)O

DOS

IR

Vibrations