Geometry & MOs

Info

ID:	310130
PubChem CID:	126574990
Reduced:	O2N9C21H21 (1)
Stoich.:	A2B9C21D21 (1)
Weight, g/mol:	419.105902
ΔH_f, kcal/mol:	167.49
Dipole, Da:	4.25
IP(EA), eV:	-8.99(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[3-(4-morpholin-4-ylsulfonylpiperazin-1-yl)sulfonylphenyl]-oxoazanium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C4=CC=CC=C4

DOS

IR

Vibrations