Geometry & MOs

Info

ID:	307781
PubChem CID:	125309146
Reduced:	SO2N5C16H17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	31.4
Dipole, Da:	9.8
IP(EA), eV:	-9.27(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-amino-3-(7-methoxy-2H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

CCCC1=NC(=NC(=O)C1)N2C(=CC(=N2)C)NC(=O)C3=CC=CS3

DOS

IR

Vibrations