Geometry & MOs

Info

ID:	431748
PubChem CID:	135171852
Reduced:	O2N6C25H36 (1)
Stoich.:	A2B6C25D36 (1)
Weight, g/mol:	486.201553
ΔH_f, kcal/mol:	-19.61
Dipole, Da:	3.12
IP(EA), eV:	-8.64(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=NNC(=N3)C#N

DOS

IR

Vibrations