Geometry & MOs

Info

ID:	166193
PubChem CID:	74649426
Reduced:	FO2S2N4C22H23 (1)
Stoich.:	AB2C2D4E22F23 (1)
Weight, g/mol:	273.086189
ΔH_f, kcal/mol:	-69.26
Dipole, Da:	4.51
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(carbamoylamino)phenyl]-6-oxo-3H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)NC(=O)C2CCC3C(C2)NC(=S)N(C3=O)CC=C)C4=CC=C(C=C4)F

DOS

IR

Vibrations