Geometry & MOs

Info

ID:

432706

PubChem CID:

135172842

Reduced:

SN7O11C51H83 (1)

Stoich.:

AB7C11D51E83 (1)

Weight, g/mol:

223.193614

ΔHf, kcal/mol:

-553.17

Dipole, Da:

5.95

IP(EA), eV:

 -9.05(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-propylpropanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1[C@H](CC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)OC)C)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN3C(=O)CC(C3=O)SCN

DOS

IR

Vibrations