Geometry & MOs

Info

ID:	355362
PubChem CID:	127288358
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	336.082702
ΔH_f, kcal/mol:	-51.83
Dipole, Da:	7.48
IP(EA), eV:	-8.98(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC(C1)C(=O)N2CCCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations