Geometry & MOs

Info

ID:	44833
PubChem CID:	10506092
Reduced:	IO5C23H35 (1)
Stoich.:	AB5C23D35 (1)
Weight, g/mol:	518.227768
ΔH_f, kcal/mol:	-218.39
Dipole, Da:	3.78
IP(EA), eV:	-9.62(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-acetamido-3-[2-[3-[(2S)-2-acetamido-3-hydrazinyl-3-oxopropyl]-1H-indol-2-yl]-1H-indol-3-yl]propanoate

Drug info:

PubChemData

Smile

C[C@H](C/C=C(\C[C@H]1C(=C)C[C@@H](O1)CCCOC(=O)C(C)(C)C)/C(=O)OC)C(=C)I

DOS

IR

Vibrations