Geometry & MOs

Info

ID:

409991

PubChem CID:

135082778

Reduced:

NOSC15H18 (1)

Stoich.:

ABCD15E18 (1)

Weight, g/mol:

373.06538

ΔHf, kcal/mol:

-14.97

Dipole, Da:

4.11

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759487

Charge, e:

 0

Chem-info

IUPAC name:

hydrogen sulfate;1-[5-(4-methoxyphenyl)-1,3-oxathiol-2-ylidene]piperidin-1-ium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(=[N+]3CCCCC3)O2

DOS

IR

Vibrations