Geometry & MOs

Info

ID:	217672
PubChem CID:	85088195
Reduced:	O2C5H5 (4)
Stoich.:	A2B5C5 (4)
Weight, g/mol:	388.074245
ΔH_f, kcal/mol:	-288.98
Dipole, Da:	7.21
IP(EA), eV:	-8.86(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-methoxy-7-thiophen-2-yl-3,6,8,10,11,13-hexazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2,5,7,11,13,15,17-octaen-4-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2C3C(C(OC3O)C4=CC(=C(C=C4)O)OC)C(=O)O2)O

DOS

IR

Vibrations