Geometry & MOs

Info

ID:

442264

PubChem CID:

135250894

Reduced:

SN2O3H34C35 (1)

Stoich.:

AB2C3D34E35 (1)

Weight, g/mol:

911.273264

ΔHf, kcal/mol:

-25.72

Dipole, Da:

6.8

IP(EA), eV:

 -8.22(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-(benzylamino)-2-phenylmethoxyphenyl]-[2-phenylmethoxy-4-[(3-thiomorpholin-4-ylsulfonylphenyl)methylamino]phenyl]methyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NCC2=CC=CC=C2)C(C3=C(C=C(C=C3)NCC4=CC=CC=C4)C)C5=CC=CC=C5S(=O)(=O)O

DOS

IR

Vibrations