Geometry & MOs

Info

ID:	195130
PubChem CID:	78641083
Reduced:	O2S2N3H15C16 (1)
Stoich.:	A2B2C3D15E16 (1)
Weight, g/mol:	386.175419
ΔH_f, kcal/mol:	4.1
Dipole, Da:	4.66
IP(EA), eV:	-9.22(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)C1CNC(=O)C2=CSC(=N2)C3=CSC=C3)C

DOS

IR

Vibrations