Geometry & MOs

Info

ID:	1994
PubChem CID:	5525
Reduced:	N2O5C24H34 (1)
Stoich.:	A2B5C24D34 (1)
Weight, g/mol:	430.246772
ΔH_f, kcal/mol:	-233.9
Dipole, Da:	4.42
IP(EA), eV:	-9.35(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCCC3CC2C(=O)O

DOS

IR

Vibrations