Geometry & MOs

Info

ID:	431745
PubChem CID:	135171849
Reduced:	O3N4C28H30 (1)
Stoich.:	A3B4C28D30 (1)
Weight, g/mol:	528.23727
ΔH_f, kcal/mol:	-52.63
Dipole, Da:	6.61
IP(EA), eV:	-8.48(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylbutan-2-yl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(phenylmethoxycarbonylamino)indol-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=C(C=C3C(=C2)C(=CN3CC(=O)OC(C)(C)C)C(=O)C)NCC4=CC=CC=C4

DOS

IR

Vibrations