Geometry & MOs

Info

ID:	309661
PubChem CID:	126552729
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	509.205002
ΔH_f, kcal/mol:	-44.52
Dipole, Da:	1.71
IP(EA), eV:	-9.54(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1)(C#N)C(=O)C2CCCCO2

DOS

IR

Vibrations