Geometry & MOs

Info

ID:	84455
PubChem CID:	49866480
Reduced:	N2O4H23C25 (1)
Stoich.:	A2B4C23D25 (1)
Weight, g/mol:	210.046299
ΔH_f, kcal/mol:	-68.94
Dipole, Da:	4.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.234604
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(4H-thieno[3,2-b]pyrrol-6-yl)propanoic acid

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=C(C=C4)C=O)C(=O)O

DOS

IR

Vibrations