Geometry & MOs

Info

ID:	389288
PubChem CID:	134992019
Reduced:	NOC9H11 (1)
Stoich.:	ABC9D11 (1)
Weight, g/mol:	643.273692
ΔH_f, kcal/mol:	-1.25
Dipole, Da:	1.89
IP(EA), eV:	-9.99(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethanol;methyl (2S)-2-(1H-indol-3-yl)-2-[[(2S)-3-methyl-2-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]butanoyl]amino]acetate;titanium

Drug info:

PubChemData

Smile

C[C@H]1CC=CC[C@@]1(C=O)C#N

DOS

IR

Vibrations