Geometry & MOs

Info

ID:	159027
PubChem CID:	57244586
Reduced:	SN2O5C24H26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	346.00161
ΔH_f, kcal/mol:	-182.26
Dipole, Da:	6.81
IP(EA), eV:	-9.61(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-bromo-4,5-difluorobenzoyl)pent-2-enoate

Drug info:

PubChemData

Smile

CC(=O)S[C@@H](CC1=CC=CC=C1)C(=O)NC2CCCC3=CC=CC=C3N(C2=O)CC(=O)O

DOS

IR

Vibrations