Geometry & MOs

Info

ID:	172045
PubChem CID:	75458864
Reduced:	NCl2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	420.059149
ΔH_f, kcal/mol:	-88.22
Dipole, Da:	2.95
IP(EA), eV:	-9.42(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[4-(difluoromethoxy)phenyl]-5-(furan-2-ylmethylidene)-2-(2-oxooxolan-3-yl)sulfanylimidazol-4-one

Drug info:

PubChemData

Smile

CC(=O)N/C(=C/C1=CC=CC=C1)/C(=O)OCC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations