Geometry & MOs

Info

ID:	165786
PubChem CID:	74598389
Reduced:	N3O3C14H18 (1)
Stoich.:	A3B3C14D18 (1)
Weight, g/mol:	489.091846
ΔH_f, kcal/mol:	-94.53
Dipole, Da:	5.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.055826
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-[[(6-oxo-3H-pyridazine-3-carbonyl)amino]carbamoyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2C=CC=CC2=[N+](C1=O)CC(=O)N(C)C

DOS

IR

Vibrations