Geometry & MOs

Info

ID:	61243
PubChem CID:	26707309
Reduced:	FSN3O4C24H28 (1)
Stoich.:	ABC3D4E24F28 (1)
Weight, g/mol:	461.186318
ΔH_f, kcal/mol:	-182.95
Dipole, Da:	7.65
IP(EA), eV:	-9.15(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(4-oxo-1H-quinazolin-2-yl)methyl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations