Geometry & MOs

Info

ID:

146675

PubChem CID:

53729921

Reduced:

NSiO8C42H53 (1)

Stoich.:

ABC8D42E53 (1)

Weight, g/mol:

555.244146

ΔHf, kcal/mol:

-328.5

Dipole, Da:

8.23

IP(EA), eV:

 -8.59(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[6-(phenylmethoxycarbonylamino)purine-9-carbonyl]amino]pentanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C(C1)OCC2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OCCOC(=O)C5=CC=C(C=C5)OCOCC[Si](C)(C)C

DOS

IR

Vibrations