Geometry & MOs

Info

ID:	448940
PubChem CID:	135294620
Reduced:	SN2O4C19H36 (1)
Stoich.:	AB2C4D19E36 (1)
Weight, g/mol:	446.315795
ΔH_f, kcal/mol:	-225.04
Dipole, Da:	5.14
IP(EA), eV:	-8.52(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N'-[(E)-but-1-enyl]-3-[3-methyl-4-(methylaminomethyl)phenyl]-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]but-2-enimidamide

Drug info:

PubChemData

Smile

CCC(C)(C)[S@@](=O)N[C@@H]1[C@H](OCC12CCN(CC2)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations