Geometry & MOs

Info

ID:	267698
PubChem CID:	103585386
Reduced:	SF2N2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	325.90152
ΔH_f, kcal/mol:	-87.56
Dipole, Da:	4.73
IP(EA), eV:	-8.49(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-bromo-2-chlorosulfonylphenyl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)NC(=S)NC2CCCCC2)F

DOS

IR

Vibrations