Geometry & MOs

Info

ID:	314825
PubChem CID:	126623535
Reduced:	ClFNO4H9C12 (1)
Stoich.:	ABCD4E9F12 (1)
Weight, g/mol:	531.168299
ΔH_f, kcal/mol:	-182.96
Dipole, Da:	3.78
IP(EA), eV:	-9.89(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-carbamoyl-1-[2-[(2S)-5-fluoro-2-[(6-methylpyridin-2-yl)carbamoyl]azepan-1-yl]-2-oxoethyl]indol-5-yl]phosphonic acid

Drug info:

PubChemData

Smile

C1[C@H](N(C1=O)C(=O)O)C(=O)CC2=C(C(=CC=C2)Cl)F

DOS

IR

Vibrations