Geometry & MOs

Info

ID:	405359
PubChem CID:	135073603
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	326.093643
ΔH_f, kcal/mol:	-25.39
Dipole, Da:	4.95
IP(EA), eV:	-9.06(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-diazonio-1-methoxy-2-[4-(4-methoxyphenyl)butylsulfonyl]ethenolate

Drug info:

PubChemData

Smile

CC(=O)N(CC1=CC=CC=C1)C(=C)C2=CC=CC=C2OC

DOS

IR

Vibrations