Geometry & MOs

Info

ID:	431674
PubChem CID:	135171770
Reduced:	O2F3N4C22H31 (1)
Stoich.:	A2B3C4D22E31 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-232.1
Dipole, Da:	6.08
IP(EA), eV:	-8.83(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-acetyl-6-hydroxy-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)CC(C)C)NC2=NC=C(N2)C(F)(F)F

DOS

IR

Vibrations