Geometry & MOs

Info

ID:	297557
PubChem CID:	117621399
Reduced:	ClSF2O4N5H20C24 (1)
Stoich.:	ABC2D4E5F20G24 (1)
Weight, g/mol:	459.190654
ΔH_f, kcal/mol:	-153.32
Dipole, Da:	1.57
IP(EA), eV:	-9.13(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-N-phenyl-2H-pyridazino[4,5-b]indole-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)N=C(N2C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OC(O5)(F)F)C6=C(N=CC=C6)Cl

DOS

IR

Vibrations