Geometry & MOs

Info

ID:	350102
PubChem CID:	127277180
Reduced:	SN2O5C18H24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	379.102434
ΔH_f, kcal/mol:	-180.79
Dipole, Da:	5.7
IP(EA), eV:	-9.46(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)N2CCOCC2)S(=O)(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations