Geometry & MOs

Info

ID:	209374
PubChem CID:	80662101
Reduced:	BrON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	320.086449
ΔH_f, kcal/mol:	-11.56
Dipole, Da:	4.53
IP(EA), eV:	-9.59(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(butylsulfonylamino)-1,3-thiazol-4-yl]butanoate

Drug info:

PubChemData

Smile

CC(C)N(CCCBr)C(=O)C1=NC2=CC=CC=C2C=C1

DOS

IR

Vibrations