Geometry & MOs

Info

ID:	60292
PubChem CID:	26676114
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	494.117939
ΔH_f, kcal/mol:	-44.44
Dipole, Da:	5.57
IP(EA), eV:	-8.96(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chlorophenyl)ethyl]-3-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]thiourea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CO/N=C\C2=CC=C(O2)C

DOS

IR

Vibrations