Geometry & MOs

Info

ID:	124463
PubChem CID:	50884690
Reduced:	N3O6H11C18 (1)
Stoich.:	A3B6C11D18 (1)
Weight, g/mol:	381.084852
ΔH_f, kcal/mol:	-138.83
Dipole, Da:	6.35
IP(EA), eV:	-9.63(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyanomethyl 4-[5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=O)NC(=O)NC3=O)C(=O)OCC#N

DOS

IR

Vibrations