Geometry & MOs

Info

ID:	218709
PubChem CID:	85089844
Reduced:	NOH15C17 (2)
Stoich.:	ABC15D17 (2)
Weight, g/mol:	498.320606
ΔH_f, kcal/mol:	38.18
Dipole, Da:	5.22
IP(EA), eV:	-8.97(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[[1-(1-cyclohexylethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(=C(C#N)C1=CC=CC(=C1)CC2=CC=CC=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

DOS

IR

Vibrations