Geometry & MOs

Info

ID:	158990
PubChem CID:	57244376
Reduced:	OSN5C9H9 (1)
Stoich.:	ABC5D9E9 (1)
Weight, g/mol:	536.168283
ΔH_f, kcal/mol:	78.19
Dipole, Da:	7.74
IP(EA), eV:	-9.06(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(5-carbamimidoyl-2-methoxyphenoxy)-4-(1,3-difluoropropoxy)-3,5-difluoropyridin-2-yl]oxy-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C(=S)N=NN2)CC(=O)N

DOS

IR

Vibrations