Geometry & MOs

Info

ID:	368972
PubChem CID:	127331030
Reduced:	Cl2O3N4C17H20 (1)
Stoich.:	A2B3C4D17E20 (1)
Weight, g/mol:	312.060235
ΔH_f, kcal/mol:	-77.67
Dipole, Da:	4.0
IP(EA), eV:	-8.97(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1,1-dioxothiolan-3-yl)urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C)C2=CC(=C(C=C2)Cl)Cl)NC(=O)NCC3COCCO3

DOS

IR

Vibrations