Geometry & MOs

Info

ID:	59106
PubChem CID:	24770977
Reduced:	ClSO4N6C11H15 (1)
Stoich.:	ABC4D6E11F15 (1)
Weight, g/mol:	390.051968
ΔH_f, kcal/mol:	-112.59
Dipole, Da:	3.59
IP(EA), eV:	-9.24(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-chloro-9-(4-nitrophenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one

Drug info:

PubChemData

Smile

CS(=O)(=O)N[C@H]1CC([C@@H]([C@@H]1O)O)N2C=NC3=C(N=C(N=C32)Cl)N

DOS

IR

Vibrations