Geometry & MOs

Info

ID:

146227

PubChem CID:

53654165

Reduced:

SN7O9C53H61 (1)

Stoich.:

AB7C9D53E61 (1)

Weight, g/mol:

386.206171

ΔHf, kcal/mol:

-259.11

Dipole, Da:

7.19

IP(EA), eV:

 -9.02(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-aminoethylsulfanyl)ethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)CC2=CC=CC=C2)C(=O)N[C@@H](COCC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)NCCS(=O)(=O)NCC6=CC=CC=C6

DOS

IR

Vibrations