Geometry & MOs

Info

ID:	421528
PubChem CID:	135116167
Reduced:	SO6N9C38H47 (1)
Stoich.:	AB6C9D38E47 (1)
Weight, g/mol:	317.126323
ΔH_f, kcal/mol:	-175.9
Dipole, Da:	7.63
IP(EA), eV:	-8.38(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-(4-propylbenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=CC=CC(=N5)C)C

DOS

IR

Vibrations