Geometry & MOs

Info

ID:	183319
PubChem CID:	77006669
Reduced:	BrON5C12H18 (1)
Stoich.:	ABC5D12E18 (1)
Weight, g/mol:	305.108565
ΔH_f, kcal/mol:	27.7
Dipole, Da:	0.31
IP(EA), eV:	-8.93(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-[3-(2-methylphenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

COCC1C2C(NNC2N(N1)C3=CC(=CC=C3)Br)N

DOS

IR

Vibrations