Geometry & MOs

Info

ID:	122692
PubChem CID:	50817372
Reduced:	ClF2N3O3C20H20 (1)
Stoich.:	AB2C3D3E20F20 (1)
Weight, g/mol:	405.125547
ΔH_f, kcal/mol:	-157.86
Dipole, Da:	3.82
IP(EA), eV:	-9.12(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(5-chloro-2-methoxyphenyl)-N'-(oxolan-2-ylmethyl)carbamimidoyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=NCC2CCCO2)NC(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations