Geometry & MOs

Info

ID:	188883
PubChem CID:	77779190
Reduced:	O4C21H34 (1)
Stoich.:	A4B21C34 (1)
Weight, g/mol:	408.114378
ΔH_f, kcal/mol:	-186.42
Dipole, Da:	4.19
IP(EA), eV:	-9.7(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-6-cyclopropylidene-8-methoxy-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC=C(C1C(C=CC1O)C=CCCCCCCO)C(=O)OC

DOS

IR

Vibrations