Geometry & MOs

Info

ID:	36643
PubChem CID:	8010272
Reduced:	FSO2N6C15H19 (1)
Stoich.:	ABC2D6E15F19 (1)
Weight, g/mol:	371.057592
ΔH_f, kcal/mol:	-64.35
Dipole, Da:	5.68
IP(EA), eV:	-8.74(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] (E)-3-(3-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)CSC2=NNC(=N2)N

DOS

IR

Vibrations