Geometry & MOs

Info

ID:	431694
PubChem CID:	135171790
Reduced:	NOC10H17 (2)
Stoich.:	ABC10D17 (2)
Weight, g/mol:	531.213437
ΔH_f, kcal/mol:	-122.58
Dipole, Da:	2.73
IP(EA), eV:	-8.09(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C)C1=CC(=C(C=C1)N(CC(C)C)CC(C)C)N

DOS

IR

Vibrations