Geometry & MOs

Info

ID:	125919
PubChem CID:	50944077
Reduced:	ClSN2O4H15C17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	323.072848
ΔH_f, kcal/mol:	-71.45
Dipole, Da:	6.34
IP(EA), eV:	-8.93(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-amino-5-[[5-(1-benzothiophen-3-yl)furan-2-yl]methylidene]-1-methylimidazol-4-one

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)C2=CC=C(O2)COC3=C(C=CC(=C3)OC)Cl

DOS

IR

Vibrations