Geometry & MOs

Info

ID:	327552
PubChem CID:	126690312
Reduced:	PSCl2N2O3H11C14 (1)
Stoich.:	ABC2D2E3F11G14 (1)
Weight, g/mol:	269.156184
ΔH_f, kcal/mol:	-63.36
Dipole, Da:	3.48
IP(EA), eV:	-8.86(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N'-methyl-3-(methylamino)-5-(3-methylcyclobutyl)-2-methylsulfanyl-5-oxopent-2-enimidamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)Cl)NC(=O)C2=CSC3=C2PN=C3Cl

DOS

IR

Vibrations