Geometry & MOs

Info

ID:	184559
PubChem CID:	77175150
Reduced:	ClNO5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	354.055339
ΔH_f, kcal/mol:	-232.44
Dipole, Da:	6.36
IP(EA), eV:	-8.9(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chloro-2-oxo-3,4-dihydro-1H-pyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

CCCCOC(=O)C1C(C2CCC(CC2C(=O)N1)OC3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations