Geometry & MOs

Info

ID:	169513
PubChem CID:	75114525
Reduced:	SF2O3N4C33H34 (1)
Stoich.:	AB2C3D4E33F34 (1)
Weight, g/mol:	333.041942
ΔH_f, kcal/mol:	-138.62
Dipole, Da:	3.33
IP(EA), eV:	-9.24(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(4-nitrophenyl)prop-2-enoylamino]-1,3-thiazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CN(C)C(=O)C2=CC(=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(C4CCCN4)O)C5=C(C=C(C=C5)F)F

DOS

IR

Vibrations