Geometry & MOs

Info

ID:	371568
PubChem CID:	127347189
Reduced:	FSO2N4C16H19 (1)
Stoich.:	ABC2D4E16F19 (1)
Weight, g/mol:	353.188546
ΔH_f, kcal/mol:	-49.85
Dipole, Da:	2.96
IP(EA), eV:	-8.66(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-N-propyl-4-pyridazin-3-yl-1,4-diazepane-1-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)S(=O)(=O)CC2=CC=CC=C2F)C3=NN=CC=C3

DOS

IR

Vibrations