Geometry & MOs

Info

ID:	172965
PubChem CID:	75575873
Reduced:	ClSO3N4C20H35 (1)
Stoich.:	ABC3D4E20F35 (1)
Weight, g/mol:	379.130534
ΔH_f, kcal/mol:	-167.5
Dipole, Da:	9.24
IP(EA), eV:	-8.05(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]urea

Drug info:

PubChemData

Smile

CC(C)CS(=O)(=O)NCCCCN1CCN(CC1)C2=CC=CC(=C2)NC(=O)C.Cl

DOS

IR

Vibrations