Geometry & MOs

Info

ID:	358093
PubChem CID:	127295638
Reduced:	SO2N4C15H26 (1)
Stoich.:	AB2C4D15E26 (1)
Weight, g/mol:	391.138819
ΔH_f, kcal/mol:	-56.37
Dipole, Da:	6.98
IP(EA), eV:	-8.04(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-4-(3-pyrrolidin-1-ylazepan-1-yl)sulfonyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations