Geometry & MOs

Info

ID:

83264

PubChem CID:

49857370

Reduced:

O4N10C43H46 (1)

Stoich.:

A4B10C43D46 (1)

Weight, g/mol:

441.129317

ΔHf, kcal/mol:

-9.75

Dipole, Da:

3.79

IP(EA), eV:

 -8.59(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[[(E)-2-phenylethenyl]sulfonyl-(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]guanidine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)N2CCC[C@H]2C3=NC4=C(N3)C=C(C=C4)C5=CC=C(C=C5)C6=CC7=C(C=C6)N=C(N7)[C@@H]8CCCN8C(=O)N(C9=CC=CC=C9)NC(=O)OC

DOS

IR

Vibrations