Geometry & MOs

Info

ID:	245201
PubChem CID:	99437869
Reduced:	ClS2N4O4C19H23 (1)
Stoich.:	AB2C4D4E19F23 (1)
Weight, g/mol:	462.204925
ΔH_f, kcal/mol:	-112.83
Dipole, Da:	8.6
IP(EA), eV:	-8.87(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoylamino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)CC2=CC=C(C=C2)NC(=O)CNS(=O)(=O)C3=CC=C(S3)Cl)C(=O)N

DOS

IR

Vibrations