Geometry & MOs

Info

ID:	421333
PubChem CID:	135115794
Reduced:	SO2N3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	517.221286
ΔH_f, kcal/mol:	-101.48
Dipole, Da:	6.36
IP(EA), eV:	-9.16(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxy-14-(pyridine-4-carbonyl)-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

CCC1=NC(=C(S1)CNC(=O)CCC(=O)N2CCCCCC2)C

DOS

IR

Vibrations