Geometry & MOs

Info

ID:	307239
PubChem CID:	125292656
Reduced:	O3N4H12C13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	317.137556
ΔH_f, kcal/mol:	-8.57
Dipole, Da:	3.6
IP(EA), eV:	-9.09(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[2-(4-acetamidoindol-1-yl)acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1)N/N=C\C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations