Geometry & MOs

Info

ID:	163991
PubChem CID:	74381297
Reduced:	O2C5H9 (2)
Stoich.:	A2B5C9 (2)
Weight, g/mol:	689.332568
ΔH_f, kcal/mol:	-195.33
Dipole, Da:	5.97
IP(EA), eV:	-10.67(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[2-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-N-(1-amino-1-oxopropan-2-yl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC(CCCCC(C=CC(=O)O)O)O

DOS

IR

Vibrations