Geometry & MOs

Info

ID:	424592
PubChem CID:	135123252
Reduced:	SN5O5C27H35 (1)
Stoich.:	AB5C5D27E35 (1)
Weight, g/mol:	306.96779
ΔH_f, kcal/mol:	-140.57
Dipole, Da:	11.07
IP(EA), eV:	-9.28(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCN1C=C(N=N1)CO[C@H](C2=CC(=C(C=C2)C)CN3C[C@@H](CC4=C(S3(=O)=O)C=NC=C4)C)C(C)(C)C(=O)O

DOS

IR

Vibrations