Geometry & MOs

Info

ID:

393536

PubChem CID:

135020922

Reduced:

O2N4H13C14 (1)

Stoich.:

A2B4C13D14 (1)

Weight, g/mol:

325.134779

ΔHf, kcal/mol:

29.12

Dipole, Da:

6.17

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.075285

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-hydroxy-3-methoxy-3-methylbutyl)-4-methyl-N-prop-2-ynylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)OC)[N+]#N)C=C(N1)C2=CC=CC=N2

DOS

IR

Vibrations