Geometry & MOs

Info

ID:	133858
PubChem CID:	51602243
Reduced:	ClS2N4O4H15C19 (1)
Stoich.:	AB2C4D4E15F19 (1)
Weight, g/mol:	383.199762
ΔH_f, kcal/mol:	-71.66
Dipole, Da:	6.5
IP(EA), eV:	-9.3(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-carbazol-9-yl-3-[2-[(3S)-3H-indol-3-yl]ethylamino]propan-2-ol

Drug info:

PubChemData

Smile

CO/C(=C/1\[C@@H](C(=C(NC1=O)SCC(=O)NC2=NC=CS2)C#N)C3=CC=C(C=C3)Cl)/O

DOS

IR

Vibrations