Geometry & MOs

Info

ID:	176903
PubChem CID:	76108762
Reduced:	S2N3O7C17H17 (1)
Stoich.:	A2B3C7D17E17 (1)
Weight, g/mol:	265.048741
ΔH_f, kcal/mol:	-177.95
Dipole, Da:	4.93
IP(EA), eV:	-9.24(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dioxoimidazol-4-yl)-3-(furan-2-yl)benzonitrile

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CC=CS3)SC1)C(=O)O

DOS

IR

Vibrations