Geometry & MOs

Info

ID:	431684
PubChem CID:	135171780
Reduced:	N2O3C19H32 (1)
Stoich.:	A2B3C19D32 (1)
Weight, g/mol:	560.203601
ΔH_f, kcal/mol:	-147.61
Dipole, Da:	2.08
IP(EA), eV:	-8.21(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations