Geometry & MOs

Info

ID:	284753
PubChem CID:	104068480
Reduced:	BrSO2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	322.08097
ΔH_f, kcal/mol:	-39.55
Dipole, Da:	2.11
IP(EA), eV:	-8.77(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[4-(hydroxymethyl)phenyl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)CSC2=CC=C(C=C2)CO

DOS

IR

Vibrations