Geometry & MOs

Info

ID:	307593
PubChem CID:	125307649
Reduced:	SN3O4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	408.023849
ΔH_f, kcal/mol:	-103.67
Dipole, Da:	4.67
IP(EA), eV:	-8.49(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-[(Z)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-7H-[1,3]dioxolo[4,5-g]quinolin-6-one

Drug info:

PubChemData

Smile

COC1=C(C=C2[C@@H](NCCC2=C1)[C@H]3C(=O)NC(=S)N(C3=O)CCC4=CC=CC=C4)OC

DOS

IR

Vibrations