Geometry & MOs

Info

ID:	228165
PubChem CID:	87563563
Reduced:	BrClOSN3H13C14 (1)
Stoich.:	ABCDE3F13G14 (1)
Weight, g/mol:	774.369173
ΔH_f, kcal/mol:	-6.61
Dipole, Da:	9.21
IP(EA), eV:	-8.29(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-[6-[3-[benzyl(difluoromethoxy)carbamoyl]-5-phenylphenoxy]hexyl]-2-[3-(ethoxyamino)-3-oxopropyl]phenoxy]butanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)N)Br.Cl

DOS

IR

Vibrations