Geometry & MOs

Info

ID:	229468
PubChem CID:	87567748
Reduced:	ClFOS2N3C19H21 (1)
Stoich.:	ABCD2E3F19G21 (1)
Weight, g/mol:	588.166329
ΔH_f, kcal/mol:	-5.11
Dipole, Da:	3.51
IP(EA), eV:	-9.08(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(9H-carbazol-4-ylperoxy)-1-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]-4-(chloromethyl)benzoic acid

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=CSN=N4)/C3)S.Cl

DOS

IR

Vibrations