Geometry & MOs

Info

ID:	224273
PubChem CID:	85341031
Reduced:	SN3O4C10H15 (1)
Stoich.:	AB3C4D10E15 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-160.29
Dipole, Da:	5.22
IP(EA), eV:	-9.27(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-acetamido-3-ethyl-5-phenylpenta-2,4-dienoate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)N1C2C(C(C(S2)CO)O)O)N

DOS

IR

Vibrations