Geometry & MOs

Info

ID:	431677
PubChem CID:	135171773
Reduced:	O5C23H26 (1)
Stoich.:	A5B23C26 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-202.28
Dipole, Da:	4.01
IP(EA), eV:	-8.84(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)([C@H](CCCC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O)O

DOS

IR

Vibrations