Geometry & MOs

Info

ID:

423109

PubChem CID:

135118954

Reduced:

S2O7N8C35H46 (1)

Stoich.:

A2B7C8D35E46 (1)

Weight, g/mol:

337.179027

ΔHf, kcal/mol:

-166.88

Dipole, Da:

9.78

IP(EA), eV:

 -8.33(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)propanoic acid

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N1)C)C(C)C)C(=O)C3=NOC=C3)CC4=CC=CC=C4)CCSC

DOS

IR

Vibrations