Geometry & MOs

Info

ID:

307991

PubChem CID:

125311165

Reduced:

O4N10C21H22 (1)

Stoich.:

A4B10C21D22 (1)

Weight, g/mol:

471.22704

ΔHf, kcal/mol:

-1.59

Dipole, Da:

5.78

IP(EA), eV:

 -9.05(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1S,2R,4R,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-5(10),6,8,11,15,17,19(25)-heptaen-8-yl]guanidine

Drug info:

PubChemData

Smile

CC1=NC2=CC3=C(C=C2N=C1)N(C(=N3)N[C@@H]4N=C5C(=NC(=NC5=O)N)N4[C@@H]6C[C@H]([C@H](O6)CO)O)C

DOS

IR

Vibrations