Geometry & MOs

Info

ID:

189813

PubChem CID:

77907160

Reduced:

OC10H16 (3)

Stoich.:

AB10C16 (3)

Weight, g/mol:

385.11512

ΔHf, kcal/mol:

-212.48

Dipole, Da:

4.28

IP(EA), eV:

 -9.39(0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(4-amino-2-oxopyrimidin-1-yl)-7-hydroxy-7-methyl-2-oxo-2-(propan-2-ylamino)-4a,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-6-carbonitrile

Drug info:

PubChemData

Smile

CC1(CCC2C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2C(=O)O)C)C)(C)C)O)C)C

DOS

IR

Vibrations