Geometry & MOs

Info

ID:	166986
PubChem CID:	74761893
Reduced:	BrSN2O6C19H19 (1)
Stoich.:	ABC2D6E19F19 (1)
Weight, g/mol:	379.98303
ΔH_f, kcal/mol:	-178.36
Dipole, Da:	4.55
IP(EA), eV:	-9.39(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)C=CC(=O)OCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations