Geometry & MOs

Info

ID:	321052
PubChem CID:	126664582
Reduced:	FSN4O6C31H47 (1)
Stoich.:	ABC4D6E31F47 (1)
Weight, g/mol:	176.048487
ΔH_f, kcal/mol:	-302.05
Dipole, Da:	4.14
IP(EA), eV:	-9.33(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethenyl acetate;3-fluoroprop-2-enoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC(C[C@@H](O1)C)[C@H](C2=CC=C(C=C2)F)[C@@H](C(=O)N[C@H]3CCC[C@@H]3CC[C@H]4CN[C@@H]5CCCS(=O)(=O)N4C5)NC(=O)O

DOS

IR

Vibrations