Geometry & MOs

Info

ID:	145921
PubChem CID:	53612573
Reduced:	ClON2S2H11C13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	351.161663
ΔH_f, kcal/mol:	36.39
Dipole, Da:	4.11
IP(EA), eV:	-9.48(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CSC=C1C(C#N)NC(=O)CCC2=CC=C(S2)Cl

DOS

IR

Vibrations