Geometry & MOs

Info

ID:	422504
PubChem CID:	135117944
Reduced:	N3O3C16H22 (2)
Stoich.:	A3B3C16D22 (2)
Weight, g/mol:	341.101171
ΔH_f, kcal/mol:	-233.56
Dipole, Da:	4.61
IP(EA), eV:	-9.03(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[3-(1H-pyrazol-4-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=CC=NC=C3)C(C)C

DOS

IR

Vibrations