Geometry & MOs

Info

ID:	201874
PubChem CID:	79594845
Reduced:	BrNC18H24 (1)
Stoich.:	ABC18D24 (1)
Weight, g/mol:	316.091535
ΔH_f, kcal/mol:	11.37
Dipole, Da:	3.2
IP(EA), eV:	-8.82(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(2-propan-2-yloxyethylsulfonylamino)benzenecarbothioamide

Drug info:

PubChemData

Smile

CC(C)(CCC1=CC=C(C2=CC=CC=C12)Br)CCNC

DOS

IR

Vibrations