Geometry & MOs

Info

ID:

437039

PubChem CID:

135214118

Reduced:

SN3O3C25H31 (1)

Stoich.:

AB3C3D25E31 (1)

Weight, g/mol:

453.208613

ΔHf, kcal/mol:

-2.2

Dipole, Da:

8.19

IP(EA), eV:

 -8.45(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-prop-2-enylamino]-4-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C[C@H](CC1=CSC=C1)NC2=C(C(=O)C2=O)N(CC=C)CC(CC3=CC=C(C=C3)O)N(C)C

DOS

IR

Vibrations