Geometry & MOs

Info

ID:	145838
PubChem CID:	53600798
Reduced:	SN3O3C13H21 (1)
Stoich.:	AB3C3D13E21 (1)
Weight, g/mol:	346.157581
ΔH_f, kcal/mol:	-104.41
Dipole, Da:	7.81
IP(EA), eV:	-9.67(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(dimethylamino)pyridazin-3-yl]-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCC1CN2C=CC=N2)S(=O)(=O)C

DOS

IR

Vibrations