Geometry & MOs

Info

ID:

421493

PubChem CID:

135116116

Reduced:

N7O7C33H47 (1)

Stoich.:

A7B7C33D47 (1)

Weight, g/mol:

307.116821

ΔHf, kcal/mol:

-315.41

Dipole, Da:

6.41

IP(EA), eV:

 -8.48(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,5S)-3-(1-propan-2-ylpyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C[C@@H](C[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)C)O)CC(C)C)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations