Geometry & MOs

Info

ID:	393274
PubChem CID:	135019919
Reduced:	NSiS2O3C26H41 (1)
Stoich.:	ABC2D3E26F41 (1)
Weight, g/mol:	332.00481
ΔH_f, kcal/mol:	-182.52
Dipole, Da:	4.78
IP(EA), eV:	-8.83(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-bromo-2-(2-methoxybenzoyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)[C@H]2CSC(=S)N2C(=O)C[C@H](C[C@@H](CC=C)O[Si](C)(C)C(C)(C)C)O)C

DOS

IR

Vibrations