Geometry & MOs

Info

ID:	166987
PubChem CID:	74762018
Reduced:	BrSN2O3H13C15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	459.01399
ΔH_f, kcal/mol:	-49.47
Dipole, Da:	4.6
IP(EA), eV:	-9.04(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(4-bromophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)COC(=O)C=CC2=CC=C(C=C2)Br

DOS

IR

Vibrations