Geometry & MOs

Info

ID:

419186

PubChem CID:

135107687

Reduced:

S2O5N6C32H40 (1)

Stoich.:

A2B5C6D32E40 (1)

Weight, g/mol:

374.167353

ΔHf, kcal/mol:

-170.47

Dipole, Da:

3.28

IP(EA), eV:

 -8.71(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1'-[(4-chloro-2-fluorophenyl)methyl]-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)C(=O)C2=CC3=C(C=C2)N=CS3)CC4=CC=CC=C4

DOS

IR

Vibrations