Geometry & MOs

Info

ID:	248694
PubChem CID:	103083682
Reduced:	BrSN2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	326.05176
ΔH_f, kcal/mol:	44.52
Dipole, Da:	1.66
IP(EA), eV:	-9.26(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-bromo-2-methylbenzoyl)hexanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=CS2)C(C)N

DOS

IR

Vibrations