Geometry & MOs

Info

ID:	391474
PubChem CID:	135005542
Reduced:	NSO8C24H27 (1)
Stoich.:	ABC8D24E27 (1)
Weight, g/mol:	368.119464
ΔH_f, kcal/mol:	-300.14
Dipole, Da:	7.3
IP(EA), eV:	-8.75(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylsulfanyl]but-2-enyl]acetamide

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCSCC=CCOC4C(C(C(C(O4)CO)O)O)O

DOS

IR

Vibrations