Geometry & MOs

Info

ID:

128225

PubChem CID:

51036585

Reduced:

O4N8C33H48 (1)

Stoich.:

A4B8C33D48 (1)

Weight, g/mol:

882.362213

ΔHf, kcal/mol:

-96.66

Dipole, Da:

6.91

IP(EA), eV:

 -8.09(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-18-[[2-(4-ethoxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]oxy]-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate

Drug info:

PubChemData

Smile

CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C(C)C)NC3=C4C(=C(C=C3)C(=O)NC[C@@H](CN5CCN(CC5)CC6CC6)OC)CCO4)C

DOS

IR

Vibrations