Geometry & MOs

Info

ID:

191004

PubChem CID:

78092888

Reduced:

NO8C26H31 (1)

Stoich.:

AB8C26D31 (1)

Weight, g/mol:

1662.918691

ΔHf, kcal/mol:

-283.06

Dipole, Da:

3.86

IP(EA), eV:

-8.54(-0.16)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[19-[6-[3-[[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-8-yl]methylcarbamoyl]-5-[[2-[(tert-butyl-hepta-1,3,5-trien-3-yl-phenylsilyl)oxymethyl]-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-8-yl]methylcarbamoyl]phenoxy]hexylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC(=O)N4CCOCC4)OC)OC

DOS

IR

Vibrations