Geometry & MOs

Info

ID:	314896
PubChem CID:	126623940
Reduced:	O3N5H15C18 (1)
Stoich.:	A3B5C15D18 (1)
Weight, g/mol:	543.239416
ΔH_f, kcal/mol:	-13.09
Dipole, Da:	3.99
IP(EA), eV:	-9.04(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2C=C(C=NC2=C1)C3=CC4=C(C=C3)N(C=C4C(=O)N)CC(=O)O

DOS

IR

Vibrations