Geometry & MOs

Info

ID:	177845
PubChem CID:	76241090
Reduced:	S2N3O4C23H27 (1)
Stoich.:	A2B3C4D23E27 (1)
Weight, g/mol:	357.094726
ΔH_f, kcal/mol:	-122.76
Dipole, Da:	3.47
IP(EA), eV:	-9.04(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CC(=O)OC)NC(=O)C(C)SCC2=NC(=O)C3C(=C(SC3=N2)C)C

DOS

IR

Vibrations