Geometry & MOs

Info

ID:	46491
PubChem CID:	10524698
Reduced:	SiO4C22H38 (1)
Stoich.:	AB4C22D38 (1)
Weight, g/mol:	394.03902
ΔH_f, kcal/mol:	-256.01
Dipole, Da:	2.39
IP(EA), eV:	-8.87(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[7-chloro-1-(4-methylbenzoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate

Drug info:

PubChemData

Smile

CC(C)COC(=O)C[C@H](CCOCC1=CC=CC=C1)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations