Geometry & MOs

Info

ID:	141456
PubChem CID:	52878644
Reduced:	S2N3O4C23H29 (1)
Stoich.:	A2B3C4D23E29 (1)
Weight, g/mol:	395.040321
ΔH_f, kcal/mol:	-114.53
Dipole, Da:	5.67
IP(EA), eV:	-9.11(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-[2-[(2R)-2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]phenyl]-methylsulfonylazanide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SCC3=CC=CC=C3

DOS

IR

Vibrations