Geometry & MOs

Info

ID:	414650
PubChem CID:	135087609
Reduced:	N7O7C39H47 (1)
Stoich.:	A7B7C39D47 (1)
Weight, g/mol:	275.115758
ΔH_f, kcal/mol:	-156.67
Dipole, Da:	13.08
IP(EA), eV:	-8.69(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC(=O)C4=CN5C=CC=CC5=N4

DOS

IR

Vibrations