Geometry & MOs

Info

ID:	59230
PubChem CID:	24775795
Reduced:	NO3C25H33 (1)
Stoich.:	AB3C25D33 (1)
Weight, g/mol:	282.046299
ΔH_f, kcal/mol:	-105.9
Dipole, Da:	4.7
IP(EA), eV:	-9.86(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-methoxy-17-thia-3,9-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),4,6,8,11(16),12,14-heptaen-2-one

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC4=CC=CC=N4)O)CC[C@@]56[C@@]3(CCC(=O)[C@@H]5O6)C

DOS

IR

Vibrations