Geometry & MOs

Info

ID:	371560
PubChem CID:	127347171
Reduced:	NSO3C18H27 (1)
Stoich.:	ABC3D18E27 (1)
Weight, g/mol:	308.105545
ΔH_f, kcal/mol:	-116.25
Dipole, Da:	5.3
IP(EA), eV:	-8.94(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-imidazol-5-ylsulfonyl)-4-pyridazin-3-yl-1,4-diazepane

Drug info:

PubChemData

Smile

C1CCC(CC1)CS(=O)(=O)N(CC2CC2)CC3=CC(=CC=C3)O

DOS

IR

Vibrations