Geometry & MOs

Info

ID:	89822
PubChem CID:	49964843
Reduced:	FO6H25C28 (1)
Stoich.:	AB6C25D28 (1)
Weight, g/mol:	304.124549
ΔH_f, kcal/mol:	-227.76
Dipole, Da:	6.43
IP(EA), eV:	-8.43(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl)sulfonyl-[4-(trimethylazaniumyl)phenyl]azanide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations