Geometry & MOs

Info

ID:	61216
PubChem CID:	26707172
Reduced:	BrN2O5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	490.01981
ΔH_f, kcal/mol:	-163.98
Dipole, Da:	2.49
IP(EA), eV:	-8.51(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2Br)OCCO3

DOS

IR

Vibrations