Geometry & MOs

Info

ID:

179274

PubChem CID:

76459511

Reduced:

PN7O10C42H56 (1)

Stoich.:

AB7C10D42E56 (1)

Weight, g/mol:

865.320028

ΔHf, kcal/mol:

-430.42

Dipole, Da:

2.94

IP(EA), eV:

 -8.91(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[[[5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl)amino]phosphoryl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1(C(C(OC1N2C=NC3=C2N=C(N=C3OC)N)COP(=O)(NC(CC4=CC=CC=C4)C(=O)OC5CCCCC5)NC(CC6=CC=CC=C6)C(=O)OC7CCCCC7)O)O

DOS

IR

Vibrations