Geometry & MOs

Info

ID:	314868
PubChem CID:	126623849
Reduced:	ClF2N2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	542.244167
ΔH_f, kcal/mol:	-73.4
Dipole, Da:	2.3
IP(EA), eV:	-9.91(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C(CNC1C2=C(N=CC(=C2)F)Cl)F

DOS

IR

Vibrations