Geometry & MOs

Info

ID:	258327
PubChem CID:	103152916
Reduced:	N2O5C13H18 (1)
Stoich.:	A2B5C13D18 (1)
Weight, g/mol:	294.017412
ΔH_f, kcal/mol:	-207.57
Dipole, Da:	6.85
IP(EA), eV:	-9.37(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)CCN1C=CC=CC1=O

DOS

IR

Vibrations