Geometry & MOs

Info

ID:	368151
PubChem CID:	127327702
Reduced:	S2N3O3C18H23 (1)
Stoich.:	A2B3C3D18E23 (1)
Weight, g/mol:	391.138819
ΔH_f, kcal/mol:	-62.08
Dipole, Da:	6.68
IP(EA), eV:	-8.9(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)S(=O)(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations