Geometry & MOs

Info

ID:

217978

PubChem CID:

85088683

Reduced:

F2O4N7C17H17 (1)

Stoich.:

A2B4C7D17E17 (1)

Weight, g/mol:

417.015452

ΔHf, kcal/mol:

-148.6

Dipole, Da:

7.73

IP(EA), eV:

 -8.98(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 8,14,15-trihydroxy-11,18-dioxo-10,17-dioxa-3-thia-6-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),8,12,14,16(20)-hexaene-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)CC(=O)O)C2NNNN2)NC(=O)NC3=CC(=CC(=C3)F)F

DOS

IR

Vibrations