Geometry & MOs

Info

ID:	314928
PubChem CID:	126623978
Reduced:	FSN2O3H21C22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	542.244167
ΔH_f, kcal/mol:	-123.37
Dipole, Da:	4.53
IP(EA), eV:	-8.53(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S)-5-fluoro-2-[(6-methylpyridin-2-yl)carbamoyl]azepan-1-yl]-2-oxoethyl]-5-(6-methylpyridin-3-yl)indole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(N(CC1)C(=O)O)C(=O)NC2=CC=CC(=C2F)C3=CSC4=CC=CC=C43

DOS

IR

Vibrations