Geometry & MOs

Info

ID:	78697
PubChem CID:	49703763
Reduced:	FO4N5C24H24 (1)
Stoich.:	AB4C5D24E24 (1)
Weight, g/mol:	491.196883
ΔH_f, kcal/mol:	-138.82
Dipole, Da:	7.78
IP(EA), eV:	-9.24(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropanecarbonylamino)-N-[2-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanoylamino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCNC(=O)C1=CC=C(C=C1)NC(=O)C)N2C(=O)C=CC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations