Geometry & MOs

Info

ID:	368143
PubChem CID:	127327680
Reduced:	SN2O3C12H22 (1)
Stoich.:	AB2C3D12E22 (1)
Weight, g/mol:	379.138819
ΔH_f, kcal/mol:	-107.64
Dipole, Da:	5.63
IP(EA), eV:	-9.28(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[[4-[(2-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1CC1CNC2CS(=O)(=O)CC2N3CCOCC3

DOS

IR

Vibrations