Geometry & MOs

Info

ID:	146991
PubChem CID:	53776943
Reduced:	N2O3S3H18C20 (1)
Stoich.:	A2B3C3D18E20 (1)
Weight, g/mol:	419.1919
ΔH_f, kcal/mol:	3.49
Dipole, Da:	3.11
IP(EA), eV:	-8.26(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(5-heptyl-1,3-thiazol-2-yl)phenyl]phenyl] but-2-enoate

Drug info:

PubChemData

Smile

CCN1C=CSC1=C=C(C2=CC=CC=C2C(=O)O)C3=C(N(C(=S)S3)CC=C)O

DOS

IR

Vibrations