Geometry & MOs

Info

ID:	143868
PubChem CID:	53273131
Reduced:	SN2O4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	408.01433
ΔH_f, kcal/mol:	-76.38
Dipole, Da:	4.74
IP(EA), eV:	-8.05(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)methanamine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNCC2=NC=C(S2)C3=CC(=C(C=C3OC)OC)OC

DOS

IR

Vibrations