Geometry & MOs

Info

ID:	165583
PubChem CID:	74570468
Reduced:	NSO4C8H14 (1)
Stoich.:	ABC4D8E14 (1)
Weight, g/mol:	381.97487
ΔH_f, kcal/mol:	-170.85
Dipole, Da:	3.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755254
Charge, e:	-1

Chem-info

IUPAC name:

3-[3-bromo-5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCCCC1C(=O)[O-]

DOS

IR

Vibrations