Geometry & MOs

Info

ID:	62193
PubChem CID:	26717951
Reduced:	FSN2O5H19C22 (1)
Stoich.:	ABC2D5E19F22 (1)
Weight, g/mol:	395.100502
ΔH_f, kcal/mol:	-159.91
Dipole, Da:	3.13
IP(EA), eV:	-8.93(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[(E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoyl]oxybenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations