Geometry & MOs

Info

ID:	193914
PubChem CID:	78455878
Reduced:	S2N3O3C15H19 (1)
Stoich.:	A2B3C3D15E19 (1)
Weight, g/mol:	415.178358
ΔH_f, kcal/mol:	-75.49
Dipole, Da:	6.35
IP(EA), eV:	-9.18(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethyl-2-oxobutyl) 3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2,8a-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

COCCNC(=O)CSC1=NC(=O)C2C3=C(CCCC3)SC2=N1

DOS

IR

Vibrations