Geometry & MOs

Info

ID:

396374

PubChem CID:

135028226

Reduced:

NSO6H21C22 (2)

Stoich.:

ABC6D21E22 (2)

Weight, g/mol:

434.166414

ΔHf, kcal/mol:

-378.55

Dipole, Da:

11.23

IP(EA), eV:

 -8.57(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(NE)-4-methyl-N-[1-morpholin-4-yl-2-(4-phenylphenyl)ethylidene]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)[C@@H]4[C@H]([C@H](C5=C4N(C6=CC=CC=C65)S(=O)(=O)C7=CC=C(C=C7)C)CC(C(=O)OC)C(=O)OC)C(C(=O)OC)C(=O)OC

DOS

IR

Vibrations