Geometry & MOs

Info

ID:

168365

PubChem CID:

74957246

Reduced:

FSCl2N5O5C28H30 (1)

Stoich.:

ABC2D5E5F28G30 (1)

Weight, g/mol:

1181.422829

ΔHf, kcal/mol:

-202.17

Dipole, Da:

5.48

IP(EA), eV:

 -9.11(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 -4

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol;3-[2,7-bis(2-amino-2-oxoethyl)-3,13,17-tris(2-carboxylatoethyl)-18-(carboxylatomethyl)-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanoate;cobalt(3+)

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)N1CC2CC1CN2C(=O)CNS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)NC(=O)C4=CC5=C(N4)C=CC=C5F

DOS

IR

Vibrations