Geometry & MOs

Info

ID:	53721
PubChem CID:	14717805
Reduced:	SO4N7C15H21 (1)
Stoich.:	AB4C7D15E21 (1)
Weight, g/mol:	367.149183
ΔH_f, kcal/mol:	-106.79
Dipole, Da:	6.37
IP(EA), eV:	-9.06(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

C1=C(NC=N1)C[C@@H](C(=O)N([C@H](CS)C(=O)O)C(=O)[C@H](CC2=CN=CN2)N)N

DOS

IR

Vibrations