Geometry & MOs

Info

ID:	137970
PubChem CID:	52293381
Reduced:	SO2N3C22H31 (1)
Stoich.:	AB2C3D22E31 (1)
Weight, g/mol:	496.073882
ΔH_f, kcal/mol:	-83.65
Dipole, Da:	4.85
IP(EA), eV:	-8.77(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-chloro-4-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)CC2=CC=C(C=C2)CNC(=O)CCN3C(=CSC3=O)C)C

DOS

IR

Vibrations