Geometry & MOs

Info

ID:	69056
PubChem CID:	46516736
Reduced:	FSO2N6C21H21 (1)
Stoich.:	ABC2D6E21F21 (1)
Weight, g/mol:	433.155909
ΔH_f, kcal/mol:	50.95
Dipole, Da:	7.63
IP(EA), eV:	-9.09(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]oxymethyl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2C(=NN=N2)SCCCC3=NC(=NO3)C4=CC(=C(C=C4)C)F

DOS

IR

Vibrations