Geometry & MOs

Info

ID:	218625
PubChem CID:	85089714
Reduced:	SN2O3C29H30 (1)
Stoich.:	AB2C3D29E30 (1)
Weight, g/mol:	486.331839
ΔH_f, kcal/mol:	-31.35
Dipole, Da:	6.33
IP(EA), eV:	-8.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-diamino-N-[6-[2-[3-(1H-indol-3-yl)propanoylamino]propanoylamino]hexyl]hexanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC#N)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)SC

DOS

IR

Vibrations