Geometry & MOs

Info

ID:

416813

PubChem CID:

135090469

Reduced:

O6N7C35H43 (1)

Stoich.:

A6B7C35D43 (1)

Weight, g/mol:

406.123025

ΔHf, kcal/mol:

-200.95

Dipole, Da:

4.79

IP(EA), eV:

 -9.23(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1'-(2-chlorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

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)C4=NC=CNC4=O

DOS

IR

Vibrations