Geometry & MOs

Info

ID:	410669
PubChem CID:	135083470
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	344.08095
ΔH_f, kcal/mol:	-10.83
Dipole, Da:	4.31
IP(EA), eV:	-9.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bromo(dibutyl)-lambda4-sulfanyl]-1-phenylethanone

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H](C1(C)C)C3=CN(N=C23)C(=O)OO

DOS

IR

Vibrations