Geometry & MOs

Info

ID:	44355
PubChem CID:	10503059
Reduced:	O4N10C17H28 (1)
Stoich.:	A4B10C17D28 (1)
Weight, g/mol:	436.09806
ΔH_f, kcal/mol:	-84.84
Dipole, Da:	6.81
IP(EA), eV:	-9.04(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,12R)-3,10-dihydroxy-1-methoxy-7-(4-methylphenyl)sulfinyltetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,6,9,13-pentaene-5,8-dione

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)CCCCCOC(=O)N[C@H](CCCN=C(N)N)C(=O)O)NN

DOS

IR

Vibrations