Geometry & MOs

Info

ID:	147614
PubChem CID:	53787270
Reduced:	NO2C24H35 (1)
Stoich.:	AB2C24D35 (1)
Weight, g/mol:	356.115441
ΔH_f, kcal/mol:	-88.06
Dipole, Da:	11.38
IP(EA), eV:	-7.48(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dihydroxypyrrol-1-yl) 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2-aminopentanoate

Drug info:

PubChemData

Smile

CCCCCCC1=C(NC(=C(C1=C2C=CC=CC2=O)CO)C(C)C)C(C)C

DOS

IR

Vibrations