Geometry & MOs

Info

ID:	431680
PubChem CID:	135171776
Reduced:	PN2O7C28H37 (1)
Stoich.:	AB2C7D28E37 (1)
Weight, g/mol:	433.163771
ΔH_f, kcal/mol:	-317.74
Dipole, Da:	7.02
IP(EA), eV:	-8.06(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOP(=O)(COC1=C(C=C2C(=C1)N(C=C2C(=O)C)CC(=O)OC(C)(C)C)NCC3=CC=CC=C3)OCC

DOS

IR

Vibrations