Geometry & MOs

Info

ID:

423568

PubChem CID:

135119752

Reduced:

O7N8C36H48 (1)

Stoich.:

A7B8C36D48 (1)

Weight, g/mol:

342.136176

ΔHf, kcal/mol:

-287.91

Dipole, Da:

3.42

IP(EA), eV:

 -8.65(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-cyclopropyl-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide

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)C3=CC=CN3)O)CC(C)C)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations