Geometry & MOs

Info

ID:	446071
PubChem CID:	135272144
Reduced:	SN4O5H12C13 (1)
Stoich.:	AB4C5D12E13 (1)
Weight, g/mol:	428.197904
ΔH_f, kcal/mol:	-2.57
Dipole, Da:	8.26
IP(EA), eV:	-9.41(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[3-chloro-5-(2-morpholin-4-ylethylamino)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C3=NON=C23)[NH+](O)[O-]

DOS

IR

Vibrations