Geometry & MOs

Info

ID:	132753
PubChem CID:	51412868
Reduced:	O2C17H18 (1)
Stoich.:	A2B17C18 (1)
Weight, g/mol:	324.093249
ΔH_f, kcal/mol:	-51.27
Dipole, Da:	3.81
IP(EA), eV:	-9.37(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-ylidene)-N-phenylethanethioamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](C(=O)CCC2=CC=CC=C2)O

DOS

IR

Vibrations