Geometry & MOs

Info

ID:

443537

PubChem CID:

135259278

Reduced:

SO3N6C33H48 (1)

Stoich.:

AB3C6D33E48 (1)

Weight, g/mol:

562.27261

ΔHf, kcal/mol:

-96.8

Dipole, Da:

7.11

IP(EA), eV:

 -8.99(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aE,5E)-6-[[6-[4-(dimethylamino)piperidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]amino]-4-methylspiro[2,8,9,9a-tetrahydrocycloocta[c]pyrrole-1,1'-cyclohexane]-3,7-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)N4CCC(CC4)N(C)C)/C

DOS

IR

Vibrations