Geometry & MOs

Info

ID:	424679
PubChem CID:	135123584
Reduced:	BrN2O5C27H31 (1)
Stoich.:	AB2C5D27E31 (1)
Weight, g/mol:	302.96905
ΔH_f, kcal/mol:	-172.07
Dipole, Da:	4.25
IP(EA), eV:	-8.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-[(2S)-2-bromo-2-methyl-3-oxopropyl]phenyl]methanesulfinate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CC(=O)C1=CC2=C(C(=C1)Br)N(C(=O)C23CCC3)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations