Geometry & MOs

Info

ID:	391898
PubChem CID:	135010750
Reduced:	SO4C24H36 (1)
Stoich.:	AB4C24D36 (1)
Weight, g/mol:	519.240959
ΔH_f, kcal/mol:	-196.23
Dipole, Da:	1.93
IP(EA), eV:	-8.71(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-[(4-benzoylphenyl)methyl]-6-methoxy-2,3-dihydroindol-1-yl]benzoate

Drug info:

PubChemData

Smile

CCCCC[C@@H]1[C@H](C(CC1(C(=O)OC)C(=O)OC)CCC)CSC2=CC=CC=C2

DOS

IR

Vibrations