Geometry & MOs

Info

ID:	302777
PubChem CID:	124395230
Reduced:	N3O3H13C18 (1)
Stoich.:	A3B3C13D18 (1)
Weight, g/mol:	450.057169
ΔH_f, kcal/mol:	33.27
Dipole, Da:	3.05
IP(EA), eV:	-9.21(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylidene]-2-(4-chloroanilino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC1=NN(C2=C1[C@H](C(=C(O2)O)C#N)C3=CC=CO3)C4=CC=CC=C4

DOS

IR

Vibrations