Geometry & MOs

Info

ID:	83484
PubChem CID:	49857646
Reduced:	BrS2O3H13C20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	473.02964
ΔH_f, kcal/mol:	-43.7
Dipole, Da:	2.22
IP(EA), eV:	-9.05(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(4-bromophenyl)-(4-methylphenyl)sulfonylmethyl]carbamate

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2[C@H](C3=C(C=CC(=C3)Br)OC2=O)C4=C(S1)SC5=CC=CC=C5C4=O

DOS

IR

Vibrations