Geometry & MOs

Info

ID:	314670
PubChem CID:	126622623
Reduced:	NO5C9H15 (1)
Stoich.:	AB5C9D15 (1)
Weight, g/mol:	550.0253
ΔH_f, kcal/mol:	-230.98
Dipole, Da:	7.16
IP(EA), eV:	-10.14(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyl-1-[2-[(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]aziridin-1-yl]-2-oxoethyl]indol-5-yl]oxymethylphosphonic acid

Drug info:

PubChemData

Smile

COC(=O)C1CCC(CCN1C(=O)O)O

DOS

IR

Vibrations