Geometry & MOs

Info

ID:	134138
PubChem CID:	51650393
Reduced:	SN2O2C16H24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	319.132077
ΔH_f, kcal/mol:	-104.81
Dipole, Da:	3.61
IP(EA), eV:	-8.63(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CCC1=CC2C(NC3CC4CCCCC4C(=O)N3C2S1)O

DOS

IR

Vibrations