Geometry & MOs

Info

ID:	431920
PubChem CID:	135172047
Reduced:	S2F3N4O5C25H37 (1)
Stoich.:	A2B3C4D5E25F37 (1)
Weight, g/mol:	501.202873
ΔH_f, kcal/mol:	-351.23
Dipole, Da:	10.55
IP(EA), eV:	-8.5(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C)C1=CC(=C(C=C1)N(CCCCCOS(=O)(=O)C)CC(C)C)NC2=NC(=NS2)C(F)(F)F

DOS

IR

Vibrations