Geometry & MOs

Info

ID:	79647
PubChem CID:	49829834
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	405.1152
ΔH_f, kcal/mol:	-73.08
Dipole, Da:	5.44
IP(EA), eV:	-9.12(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(4-chlorophenyl)-5-(2-hydroxypropylamino)-11-methyl-8-thia-4,6-diaza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

Drug info:

PubChemData

Smile

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C

DOS

IR

Vibrations