Geometry & MOs

Info

ID:

443463

PubChem CID:

135259120

Reduced:

SO2N6C25H26 (1)

Stoich.:

AB2C6D25E26 (1)

Weight, g/mol:

632.27809

ΔHf, kcal/mol:

1.28

Dipole, Da:

3.45

IP(EA), eV:

 -8.6(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-ethyl-2-imino-8-[4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]thieno[2,3-d]pyrimidin-6-yl]-6-methylidene-8-oxooctanoate

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=NC=NC5=C4CN(C5)SC6=CC=CC=C6)CCCCC3

DOS

IR

Vibrations