Geometry & MOs

Info

ID:	59058
PubChem CID:	24770668
Reduced:	PN5O6C28H52 (1)
Stoich.:	AB5C6D28E52 (1)
Weight, g/mol:	446.198777
ΔH_f, kcal/mol:	-324.7
Dipole, Da:	2.9
IP(EA), eV:	-9.12(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(13-amino-13-methyl-14-oxo-15-oxa-2,20-diazatricyclo[15.3.1.17,11]docosa-1(20),7(22),8,10,17(21),18-hexaen-19-yl)-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOCCCOP(=O)(COCC(CO)N1C=NC2=C(N=CN=C21)N)O

DOS

IR

Vibrations