Geometry & MOs

Info

ID:	122740
PubChem CID:	50819983
Reduced:	ClF2N3O3C20H20 (1)
Stoich.:	AB2C3D3E20F20 (1)
Weight, g/mol:	452.20597
ΔH_f, kcal/mol:	-155.91
Dipole, Da:	4.0
IP(EA), eV:	-8.59(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(oxolan-2-ylmethyl)carbamimidoyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations