Geometry & MOs

Info

ID:

186748

PubChem CID:

77478142

Reduced:

N5O7C36H51 (1)

Stoich.:

A5B7C36D51 (1)

Weight, g/mol:

671.353028

ΔHf, kcal/mol:

-268.97

Dipole, Da:

4.44

IP(EA), eV:

 -9.23(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopentyl 3-[3-(2,4-dimethoxypyrimidin-5-yl)-8-[[1-(methylamino)-1,2-dioxohexan-3-yl]carbamoyl]-1-oxa-2-azaspiro[4.4]non-2-ene-7-carbonyl]-4,4-dimethylpentanoate

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2CC3(CC(=NO3)C4=CC=CC(=C4)C)CN2C(=O)C(C(C)(C)C)NC(=O)OC5CCCCC5

DOS

IR

Vibrations