Geometry & MOs

Info

ID:	134594
PubChem CID:	51719902
Reduced:	ClO2N3H16C19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	440.217203
ΔH_f, kcal/mol:	-7.38
Dipole, Da:	6.85
IP(EA), eV:	-8.83(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-ium-1-yl]-2-[6-(2-methylpropanoylamino)-1H-indol-3-yl]acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C=NC3=C2NC(=O)C[C@H]3C4=CC=C(C=C4)Cl

DOS

IR

Vibrations