Geometry & MOs

Info

ID:	395498
PubChem CID:	135025624
Reduced:	ClNF3O3H15C19 (1)
Stoich.:	ABC3D3E15F19 (1)
Weight, g/mol:	415.126717
ΔH_f, kcal/mol:	-235.01
Dipole, Da:	6.55
IP(EA), eV:	-8.87(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-ethyl 1-O-methyl (1R,2S,3R)-1-(1,3-dioxoisoindol-2-yl)-3-[(Z)-3-ethoxy-3-oxoprop-1-enyl]cyclopropane-1,2-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1(CC2=CC=CC=C2C1=O)C(C(F)(F)F)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations