Geometry & MOs

Info

ID:

422047

PubChem CID:

135117081

Reduced:

O5N7C35H45 (1)

Stoich.:

A5B7C35D45 (1)

Weight, g/mol:

404.167083

ΔHf, kcal/mol:

-156.72

Dipole, Da:

5.24

IP(EA), eV:

 -9.19(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,4-dimethyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)CN4C=CC=N4

DOS

IR

Vibrations