Geometry & MOs

Info

ID:	167713
PubChem CID:	74861501
Reduced:	SO2N5C23H33 (1)
Stoich.:	AB2C5D23E33 (1)
Weight, g/mol:	436.109293
ΔH_f, kcal/mol:	-64.88
Dipole, Da:	3.58
IP(EA), eV:	-8.86(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CSC1=NNC2N1C3CCCCC3C(=O)N2C4=C(C=C(C=C4)C)C

DOS

IR

Vibrations