Geometry & MOs

Info

ID:	398618
PubChem CID:	135034316
Reduced:	N2O5H18C22 (1)
Stoich.:	A2B5C18D22 (1)
Weight, g/mol:	403.124215
ΔH_f, kcal/mol:	-122.64
Dipole, Da:	5.45
IP(EA), eV:	-9.13(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-methyl-4-(4-methylphenyl)sulfonyl-18-oxa-4-azapentacyclo[13.2.1.02,14.03,11.05,10]octadeca-2(14),3(11),5,7,9,12-hexaene

Drug info:

PubChemData

Smile

COC(=O)C1=CN2C3=CC=CC=C3N(C(=O)C2=C1C(=O)OC)CC4=CC=CC=C4

DOS

IR

Vibrations