Geometry & MOs

Info

ID:	218174
PubChem CID:	85088992
Reduced:	FSO5C23H29 (1)
Stoich.:	ABC5D23E29 (1)
Weight, g/mol:	436.112664
ΔH_f, kcal/mol:	-268.83
Dipole, Da:	12.07
IP(EA), eV:	-9.5(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[2-[[4-(C-methylsulfanylcarbonimidoyl)phenyl]sulfonylamino]propyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SC(=O)C)O)C)O)F)C

DOS

IR

Vibrations