Geometry & MOs

Info

ID:	314962
PubChem CID:	126624033
Reduced:	ClSO3N4C11H13 (1)
Stoich.:	ABC3D4E11F13 (1)
Weight, g/mol:	558.239082
ΔH_f, kcal/mol:	-66.07
Dipole, Da:	5.83
IP(EA), eV:	-9.28(-1.14)
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-methoxypyridin-3-yl)indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1C2=C(C(=N1)C(=O)N)SC(=N2)Cl

DOS

IR

Vibrations