Geometry & MOs

Info

ID:	147641
PubChem CID:	53787298
Reduced:	BrFSO2H16C22 (1)
Stoich.:	ABCD2E16F22 (1)
Weight, g/mol:	235.006992
ΔH_f, kcal/mol:	-61.84
Dipole, Da:	3.48
IP(EA), eV:	-8.3(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl) N,N-dimethylsulfamate

Drug info:

PubChemData

Smile

CC1=C(SC2=C(C3=CC=CC=C3C(=C12)C4=CC(=C(C=C4)OC(=O)C)F)Br)C

DOS

IR

Vibrations