Geometry & MOs

Info

ID:	270024
PubChem CID:	103622690
Reduced:	SN2O6C10H12 (1)
Stoich.:	AB2C6D10E12 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-155.58
Dipole, Da:	8.53
IP(EA), eV:	-9.94(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-(3-cyclopentylpropanoylamino)-3-(1H-imidazol-5-yl)propanoate

Drug info:

PubChemData

Smile

CS(=O)(=O)CCNC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O

DOS

IR

Vibrations