Geometry & MOs

Info

ID:

146947

PubChem CID:

53775916

Reduced:

P2S2O6N10C19H24 (1)

Stoich.:

A2B2C6D10E19F24 (1)

Weight, g/mol:

512.336256

ΔHf, kcal/mol:

-201.33

Dipole, Da:

2.32

IP(EA), eV:

 -9.09(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[(20-methyl-14-oxo-1,13-diazatricyclo[15.6.1.018,23]tetracosa-17(24),18(23),19,21-tetraen-15-yl)amino]-1-oxopropan-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

C[P+](=O)C1OC(CS1)CN2C=NC3=C(N=CN=C32)N.C1C(OC(S1)P(=O)(O)[O-])CN2C=NC3=C(N=CN=C32)N

DOS

IR

Vibrations