Geometry & MOs

Info

ID:	399057
PubChem CID:	135037393
Reduced:	NO5C14H17 (2)
Stoich.:	AB5C14D17 (2)
Weight, g/mol:	216.084696
ΔH_f, kcal/mol:	-417.23
Dipole, Da:	7.08
IP(EA), eV:	-8.73(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1R)-1-(2-phenylsulfanylcyclopenta-1,4-dien-1-yl)ethanamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]([C@H]1C(C([C@@H](C(O1)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O)O)O)C(=O)O

DOS

IR

Vibrations