Geometry & MOs

Info

ID:	422533
PubChem CID:	135117997
Reduced:	SN3O3C19H21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	484.220951
ΔH_f, kcal/mol:	66.9
Dipole, Da:	5.62
IP(EA), eV:	-8.59(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxy-14-(2-methoxyacetyl)-17,20-dioxa-11,14-diazatetracyclo[19.2.2.02,11.03,8]pentacosa-1(23),3,5,7,21,24-hexaen-12-one

Drug info:

PubChemData

Smile

C1CC1C2=NC=C(C(=O)N2)C(=O)N3CCC4(CC3)C5=C(CCO4)SC=C5

DOS

IR

Vibrations