Geometry & MOs

Info

ID:	61313
PubChem CID:	26708123
Reduced:	SCl2O2N3H15C17 (1)
Stoich.:	AB2C2D3E15F17 (1)
Weight, g/mol:	419.06036
ΔH_f, kcal/mol:	-49.68
Dipole, Da:	4.93
IP(EA), eV:	-9.19(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)N[C@H](C)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations