Geometry & MOs

Info

ID:	190099
PubChem CID:	77954016
Reduced:	N5O5C13H19 (1)
Stoich.:	A5B5C13D19 (1)
Weight, g/mol:	426.179087
ΔH_f, kcal/mol:	-138.97
Dipole, Da:	8.49
IP(EA), eV:	-9.81(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3a-ethoxycarbonyloxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxo-3,4,5,6-tetrahydroindol-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCOCC1C(C(C(O1)N2C=NC3C2=NC(=NC3=O)N)(C)O)O

DOS

IR

Vibrations