Geometry & MOs

Info

ID:	26577
PubChem CID:	653144
Reduced:	S2N3O4C21H29 (1)
Stoich.:	A2B3C4D21E29 (1)
Weight, g/mol:	470.243024
ΔH_f, kcal/mol:	-109.25
Dipole, Da:	2.9
IP(EA), eV:	-8.92(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,4-dihydro-2H-quinolin-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC)CC3=CC=CC=C3

DOS

IR

Vibrations