Geometry & MOs

Info

ID:	160052
PubChem CID:	57304510
Reduced:	Cl2F3N3O3H14C15 (1)
Stoich.:	A2B3C3D3E14F15 (1)
Weight, g/mol:	507.263425
ΔH_f, kcal/mol:	-243.46
Dipole, Da:	3.94
IP(EA), eV:	-9.28(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[8-[[N'-[(3-methoxyphenyl)methyl]carbamimidoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]naphthalene-2-carboximidamide

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC(=C(C=C1)F)N2C(=O)N(C(=N2)C)C(F)F)(Cl)Cl

DOS

IR

Vibrations