Geometry & MOs

Info

ID:

186513

PubChem CID:

77440589

Reduced:

ClSO4N7C27H34 (1)

Stoich.:

ABC4D7E27F34 (1)

Weight, g/mol:

505.277693

ΔHf, kcal/mol:

-40.43

Dipole, Da:

4.94

IP(EA), eV:

 -8.8(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[1-[2-(cyclopentylamino)ethyl]-4-ethylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC(C(C)C(=NN)OC(=C)C1CCNC(=O)C1)C(=NN)N(C2=CC=CC=C2Cl)C(=C)C3=NC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations