Geometry & MOs

Info

ID:	382137
PubChem CID:	134973092
Reduced:	NO6C35H41 (1)
Stoich.:	AB6C35D41 (1)
Weight, g/mol:	269.05105
ΔH_f, kcal/mol:	-184.67
Dipole, Da:	6.18
IP(EA), eV:	-9.15(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-hydroxy-17-thia-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-13-one

Drug info:

PubChemData

Smile

CC(=O)/C=C/[C@@H]1[C@@H]([C@@H]([C@@H](N1C(=O)OC(C)(C)C)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations