Geometry & MOs

Info

ID:	309666
PubChem CID:	126553324
Reduced:	IS2N5O7C28H32 (1)
Stoich.:	AB2C5D7E28F32 (1)
Weight, g/mol:	391.102434
ΔH_f, kcal/mol:	-142.96
Dipole, Da:	11.51
IP(EA), eV:	-7.95(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,2R)-1-(5-methylpyrimidin-2-yl)-1-propoxypropan-2-yl]sulfonyl-1,3-benzothiazole

Drug info:

PubChemData

Smile

C[C@H]([C@H](C1=CC=CC=C1OC)O)S(=O)(=O)N(CCSI)C2=NN=C(N2C3=C(C=CC=C3OC)OC)C4=NC(=CC=C4)OC

DOS

IR

Vibrations