Geometry & MOs

Info

ID:	31873
PubChem CID:	3722003
Reduced:	S2N3O4H23C26 (1)
Stoich.:	A2B3C4D23E26 (1)
Weight, g/mol:	530.166414
ΔH_f, kcal/mol:	-17.28
Dipole, Da:	6.36
IP(EA), eV:	-7.99(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,4-bis(phenylmethoxy)phenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Drug info:

PubChemData

Smile

C1CN(CCN1C=CC2=CC=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=CS5

DOS

IR

Vibrations