Geometry & MOs

Info

ID:

443486

PubChem CID:

135259173

Reduced:

SO3N4C27H36 (1)

Stoich.:

AB3C4D27E36 (1)

Weight, g/mol:

479.173959

ΔHf, kcal/mol:

-95.04

Dipole, Da:

4.18

IP(EA), eV:

 -9.16(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[6-(3-aminoazetidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-yl]amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

Drug info:

PubChemData

Smile

CCC(C)C1(CCCCC1)NC(=O)/C(=C(\C)/C=C(\C(=O)C)/NC2=C3C=C(SC3=NC=N2)C(=O)C)/C

DOS

IR

Vibrations