Geometry & MOs

Info

ID:	26372
PubChem CID:	645499
Reduced:	SN4O4C19H22 (1)
Stoich.:	AB4C4D19E22 (1)
Weight, g/mol:	474.237939
ΔH_f, kcal/mol:	-127.48
Dipole, Da:	4.66
IP(EA), eV:	-8.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC(C(=O)OC)SC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

DOS

IR

Vibrations